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

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H20N2O9 MolecularWeight: 420.3701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C19H20N2O9/c1-26-12-5-11(6-13(7-12)27-2)20-18(22)10-30-19(23)14-8-16(28-3)17(29-4)9-15(14)21(24)25/h5-9H,10H2,1-4H3,(H,20,22)