[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O5/c1-13-9-14(2)11-16(10-13)20-18(22)12-26-19(23)8-7-15-5-3-4-6-17(15)21(24)25/h3-11H,12H2,1-2H3,(H,20,22)/b8-7+