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

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H24N2O8/c1-13-15(6-5-7-16(13)23(26)27)22-19(24)12-31-20(25)9-8-14-10-17(28-2)21(30-4)18(11-14)29-3/h5-7,10-11H,8-9,12H2,1-4H3,(H,22,24)