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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-]

InChI

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