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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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