2-[methyl-(phenylmethyl)amino]ethyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: 2-[benzyl(methyl)amino]ethyl (E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid 2-[methyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(methyl)amino]ethyl (E)-5-(3-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(3-nitrophenyl)pent-4-enoic acid 2-[benzyl(methyl)amino]ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)CC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CN(CCOC(=O)CC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c1-22(16-18-6-3-2-4-7-18)12-13-28-21(25)15-20(24)11-10-17-8-5-9-19(14-17)23(26)27/h2-11,14H,12-13,15-16H2,1H3/b11-10+