methyl 4-[(E)-[[2-(azepan-1-yl)-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[[2-(azepan-1-yl)-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[2-(azepan-1-yl)-2-oxo-acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-(1-azepanyl)-1,2-dioxoethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[2-(azepan-1-yl)-2-oxoacetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(azepan-1-yl)-2-keto-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=C(C=C1)C=NNC(=O)C(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H21N3O4/c1-24-17(23)14-8-6-13(7-9-14)12-18-19-15(21)16(22)20-10-4-2-3-5-11-20/h6-9,12H,2-5,10-11H2,1H3,(H,19,21)/b18-12+