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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-13(20(24)21-15-5-4-6-16(12-15)22(25)26)29-19(23)10-7-14-11-17(27-2)8-9-18(14)28-3/h4-13H,1-3H3,(H,21,24)/b10-7+