[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C17H16N2O6 MolecularWeight: 344.31874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H16N2O6/c1-18-15-8-5-12(19(22)23)9-14(15)17(21)25-10-16(20)11-3-6-13(24-2)7-4-11/h3-9,18H,10H2,1-2H3