[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C=CC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C20H20N2O7/c1-13(20(24)21-15-5-7-16(8-6-15)22(25)26)29-19(23)11-4-14-12-17(27-2)9-10-18(14)28-3/h4-13H,1-3H3,(H,21,24)/b11-4+