[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C22H15N5O10S MolecularWeight: 541.447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O10S/c23-11-13-9-16(27(33)34)5-7-19(13)24-21(29)12-37-22(30)18-10-17(6-8-20(18)28)38(35,36)25-14-1-3-15(4-2-14)26(31)32/h1-10,25,28H,12H2,(H,24,29)