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

Systemtic Name: methyl 2-[(E)-2-(2-oxidanylideneazepan-3-yl)ethenyl]benzoate Openeye Name: methyl 2-[(E)-2-(2-oxoazepan-3-yl)vinyl]benzoate CAS Name: 2-[(E)-2-(2-oxo-3-azepanyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(2-oxoazepan-3-yl)ethenyl]benzoate Traditional Name: 2-[(E)-2-(2-ketoazepan-3-yl)vinyl]benzoic acid methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=CC2CCCCNC2=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C/C2CCCCNC2=O

InChI

InChI=1S/C16H19NO3/c1-20-16(19)14-8-3-2-6-12(14)9-10-13-7-4-5-11-17-15(13)18/h2-3,6,8-10,13H,4-5,7,11H2,1H3,(H,17,18)/b10-9+