(Q82786849)

English

2-Methyl-4-(2-{3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]phenyl}hydrazinylidene)cyclohexa-2,5-dien-1-one

group of stereoisomers with the chemical formula C₂₀H₁₇N₅O₃

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Statements

group of stereoisomers

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chemical compound

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375.133139404 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₇N₅O₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC(=NNc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c(C)c2)C=CC1=O

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CC1=CC(=NNc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c(C)c2)C=CC1=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H17N5O3/c1-13-11-16(22-23-17-6-10-20(26)14(2)12-17)5-9-19(13)24-21-15-3-7-18(8-4-15)25(27)28/h3-12,22H,1-2H3/b23-17?,24-21+

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OTMLUIAWGVQUNO-HJNAXKNWSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

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