[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H14ClN3O8S2 MolecularWeight: 511.91276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClN3O8S2/c20-14-9-12(23(27)28)4-5-15(14)21-17(25)10-31-19(26)13-8-11(3-6-16(13)24)22-33(29,30)18-2-1-7-32-18/h1-9,22,24H,10H2,(H,21,25)