[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O7/c1-4-29-18-9-6-15(12-19(18)28-3)7-10-21(25)30-13-20(24)22-16-8-5-14(2)11-17(16)23(26)27/h5-12H,4,13H2,1-3H3,(H,22,24)/b10-7+