[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 3-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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