[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C20H22N2O10 MolecularWeight: 450.39608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H22N2O10/c1-27-14-8-12(13(22(25)26)9-15(14)28-2)20(24)32-10-18(23)21-11-6-16(29-3)19(31-5)17(7-11)30-4/h6-9H,10H2,1-5H3,(H,21,23)