[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxypropanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxypropanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CCOC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C18H17ClN2O6/c1-12(27-17(22)9-10-26-14-5-3-2-4-6-14)18(23)20-16-11-13(21(24)25)7-8-15(16)19/h2-8,11-12H,9-10H2,1H3,(H,20,23)