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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-bis(chloranyl)benzoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C16H12Cl2N2O5 MolecularWeight: 383.18288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O5/c1-9-6-11(20(23)24)3-5-14(9)19-15(21)8-25-16(22)10-2-4-12(17)13(18)7-10/h2-7H,8H2,1H3,(H,19,21)