[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H18N2O8/c1-25-14-9-16(27-3)15(26-2)8-13(14)18(22)28-10-17(21)19-11-4-6-12(7-5-11)20(23)24/h4-9H,10H2,1-3H3,(H,19,21)