[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxybenzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxybenzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O6/c1-15(21(25)23-19-12-5-6-13-20(19)24(27)28)29-22(26)16-8-7-11-18(14-16)30-17-9-3-2-4-10-17/h2-15H,1H3,(H,23,25)