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

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methoxymethyl)benzoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(methoxymethyl)benzoate CAS Name: 4-(methoxymethyl)benzoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate Traditional Name: 4-(methoxymethyl)benzoic 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)C2=CC=C(C=C2)COC

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6/c1-11(27-18(23)13-5-3-12(4-6-13)10-26-2)17(22)20-16-9-14(21(24)25)7-8-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,22)