[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17ClN2O7 MolecularWeight: 408.78978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C18H17ClN2O7/c1-10-15(26-2)6-11(7-16(10)27-3)18(23)28-9-17(22)20-14-8-12(21(24)25)4-5-13(14)19/h4-8H,9H2,1-3H3,(H,20,22)