[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O9 MolecularWeight: 434.39668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O9/c1-11(19(23)21-14-8-12(27-2)6-7-16(14)28-3)31-20(24)13-9-17(29-4)18(30-5)10-15(13)22(25)26/h6-11H,1-5H3,(H,21,23)