1-[methyl-(phenylmethyl)amino]propan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 1-[methyl-(phenylmethyl)amino]propan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-ethyl] (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 1-[methyl-(phenylmethyl)amino]propan-2-yl ester IUPAC Name: 1-[benzyl(methyl)amino]propan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid [2-[benzyl(methyl)amino]-1-methyl-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CN(C)CC1=CC=CC=C1)OC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C

InChI

InChI=1S/C22H24N2O5/c1-16(14-23(3)15-18-8-5-4-6-9-18)29-22(26)21(17(2)25)13-19-10-7-11-20(12-19)24(27)28/h4-13,16H,14-15H2,1-3H3/b21-13+