[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H15N3O9 MolecularWeight: 405.3157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O9/c1-27-14-7-10(13(20(25)26)8-15(14)28-2)17(22)29-9-16(21)18-11-5-3-4-6-12(11)19(23)24/h3-8H,9H2,1-2H3,(H,18,21)