[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-12-5-7-15(22(25)26)20(13(12)2)21-18(23)11-29-19(24)10-14-6-8-16(27-3)17(9-14)28-4/h5-9H,10-11H2,1-4H3,(H,21,23)