[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]benzoate CAS Name: 2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoate Traditional Name: 2-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NN=C3C=CC(=O)C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NN=C3C=CC(=O)C=C3

InChI

InChI=1S/C21H23N3O4/c25-17-11-9-16(10-12-17)22-23-19-8-4-3-7-18(19)21(27)28-15-20(26)24-13-5-1-2-6-14-24/h3-4,7-12,23H,1-2,5-6,13-15H2