methyl 2-[(Z)-[2-(2-oxidanylideneazepan-1-yl)ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 2-[(Z)-[2-(2-oxidanylideneazepan-1-yl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 2-[(Z)-[[2-(2-oxoazepan-1-yl)acetyl]hydrazono]methyl]benzoate CAS Name: 2-[(Z)-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-[[2-(2-oxoazepan-1-yl)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 2-[(Z)-[[2-(2-ketoazepan-1-yl)acetyl]hydrazono]methyl]benzoic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=N\NC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C17H21N3O4/c1-24-17(23)14-8-5-4-7-13(14)11-18-19-15(21)12-20-10-6-2-3-9-16(20)22/h4-5,7-8,11H,2-3,6,9-10,12H2,1H3,(H,19,21)/b18-11-