[(E)-2-(2-oxidanylideneazepan-3-yl)ethenyl] benzoate

Systemtic Name: [(E)-2-(2-oxidanylideneazepan-3-yl)ethenyl] benzoate Openeye Name: [(E)-2-(2-oxoazepan-3-yl)vinyl] benzoate CAS Name: benzoic acid [(E)-2-(2-oxo-3-azepanyl)ethenyl] ester IUPAC Name: [(E)-2-(2-oxoazepan-3-yl)ethenyl] benzoate Traditional Name: benzoic acid [(E)-2-(2-ketoazepan-3-yl)vinyl] ester Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)C=COC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCNC(=O)C(C1)/C=C/OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H17NO3/c17-14-12(6-4-5-10-16-14)9-11-19-15(18)13-7-2-1-3-8-13/h1-3,7-9,11-12H,4-6,10H2,(H,16,17)/b11-9+