[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C19H20N2O9 MolecularWeight: 420.3701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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