[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7/c1-24-14-7-11(8-15(9-14)25-2)17(21)26-10-16(20)18-12-3-5-13(6-4-12)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)