[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: 3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)acrylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O8/c1-13-5-7-15(11-16(13)23(26)27)22-19(24)12-31-20(25)8-6-14-9-17(28-2)21(30-4)18(10-14)29-3/h5-11H,12H2,1-4H3,(H,22,24)