heptyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: heptyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: heptyl (E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid heptyl ester IUPAC Name: heptyl (E)-5-(3-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(3-nitrophenyl)pent-4-enoic acid heptyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC(=O)CC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H23NO5/c1-2-3-4-5-6-12-24-18(21)14-17(20)11-10-15-8-7-9-16(13-15)19(22)23/h7-11,13H,2-6,12,14H2,1H3/b11-10+