(Q27186301)

MCULE-2245062770 (English)

10 October 2016

chemical formula

C₂₁H₂₀N₂O₄

1 reference

MCULE-2245062770 (English)

10 October 2016

canonical SMILES

CC1=NN(C(=O)C1=CC=CC2=CC=CO2)C3=CC=C(C=C3)C(=O)OC(C)C

1 reference

MCULE-2245062770 (English)

10 October 2016

isomeric SMILES

CC/1=NN(C(=O)\C1=C/C=C/C2=CC=CO2)C3=CC=C(C=C3)C(=O)OC(C)C

1 reference

Isopropyl 4-{(4Z)-4-[(2E)-3-(2-furyl)-2-propen-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate (English)

InChI=1S/C21H20N2O4/c1-14(2)27-21(25)16-9-11-17(12-10-16)23-20(24)19(15(3)22-23)8-4-6-18-7-5-13-26-18/h4-14H,1-3H3/b6-4+,19-8-

10 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

BVASLSKDOFWFFT-UHFFFAOYSA-N

2 references

MCULE-2245062770 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Isopropyl 4-{(4Z)-4-[(2E)-3-(2-furyl)-2-propen-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate (English)

10 October 2016

1 reference

MCULE-2245062770 (English)

10 October 2016

ChEBI ID

107951

mapping relation type

1 reference