[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H19N3O9S2 MolecularWeight: 521.52026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C21H19N3O9S2/c1-12(20(26)22-16-11-14(24(28)29)6-8-18(16)32-2)33-21(27)15-10-13(5-7-17(15)25)23-35(30,31)19-4-3-9-34-19/h3-12,23,25H,1-2H3,(H,22,26)