(Q76120033)

English

4-[(4E)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

445.12738532799995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₄H₁₉N₃O₆

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canonical SMILES

CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

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Identifiers

InChI

InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+

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InChIKey

HEKJYZZSCQBJGB-XDHOZWIPSA-N

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PubChem CID

1285940

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matched by identifier from

InChIKey

HEKJYZZSCQBJGB-XDHOZWIPSA-N

SureChEMBL ID

SCHEMBL14991292

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HEKJYZZSCQBJGB-XDHOZWIPSA-N

SCHEMBL14991291

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HEKJYZZSCQBJGB-XDHOZWIPSA-N

1 reference

0 references

(Q76120033)

4-[(4E)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

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