[2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-[2-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-[N'-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-keto-ethyl] ester Formula: C18H22ClN3O6 MolecularWeight: 411.83678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)CN2CCCCCC2=O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C18H22ClN3O6/c1-27-14-7-6-12(19)9-13(14)18(26)21-20-15(23)11-28-17(25)10-22-8-4-2-3-5-16(22)24/h6-7,9H,2-5,8,10-11H2,1H3,(H,20,23)(H,21,26)