[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2,4-dichloro-5-sulfamoyl-benzoate CAS Name: 2,4-dichloro-5-sulfamoylbenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate Traditional Name: 2,4-dichloro-5-sulfamoyl-benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H10Cl2N4O7S MolecularWeight: 473.2442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H10Cl2N4O7S/c17-11-5-12(18)14(30(20,27)28)4-10(11)16(24)29-7-15(23)21-13-2-1-9(22(25)26)3-8(13)6-19/h1-5H,7H2,(H,21,23)(H2,20,27,28)