[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O6/c1-14(30-22(27)19-13-16(25(28)29)9-12-20(19)23)21(26)24-15-7-10-18(11-8-15)31-17-5-3-2-4-6-17/h2-14H,1H3,(H,24,26)