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

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C20H22N2O9 MolecularWeight: 434.39668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O9/c1-5-30-15-7-6-12(8-14(15)22(25)26)20(24)31-11-18(23)21-13-9-16(27-2)19(29-4)17(10-13)28-3/h6-10H,5,11H2,1-4H3,(H,21,23)