[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H17N3O8S2 MolecularWeight: 491.49428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O8S2/c1-12(19(25)21-13-4-2-5-15(10-13)23(27)28)31-20(26)16-11-14(7-8-17(16)24)22-33(29,30)18-6-3-9-32-18/h2-12,22,24H,1H3,(H,21,25)