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

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O8/c1-4-28-17-7-5-12(9-15(17)21(24)25)19(23)29-11-18(22)20-14-10-13(26-2)6-8-16(14)27-3/h5-10H,4,11H2,1-3H3,(H,20,22)