methyl (2E,4Z)-5-(2-oxidanylideneazepan-1-yl)penta-2,4-dienoate

Systemtic Name: methyl (2E,4Z)-5-(2-oxidanylideneazepan-1-yl)penta-2,4-dienoate Openeye Name: methyl (2E,4Z)-5-(2-oxoazepan-1-yl)penta-2,4-dienoate CAS Name: (2E,4Z)-5-(2-oxo-1-azepanyl)penta-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4Z)-5-(2-oxoazepan-1-yl)penta-2,4-dienoate Traditional Name: (2E,4Z)-5-(2-ketoazepan-1-yl)penta-2,4-dienoic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC=CN1CCCCCC1=O

Isomeric SMILES

COC(=O)/C=C/C=C\N1CCCCCC1=O

InChI

InChI=1S/C12H17NO3/c1-16-12(15)8-4-6-10-13-9-5-2-3-7-11(13)14/h4,6,8,10H,2-3,5,7,9H2,1H3/b8-4+,10-6-