2-[methyl-(phenylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-[benzyl(methyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-[methyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(methyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-[benzyl(methyl)amino]ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCN(C)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c1-16(24)20(14-18-9-6-10-19(13-18)23(26)27)21(25)28-12-11-22(2)15-17-7-4-3-5-8-17/h3-10,13-14H,11-12,15H2,1-2H3/b20-14+