[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C25H25N3O8S MolecularWeight: 527.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O8S/c1-3-16-8-7-9-17(4-2)24(16)26-23(30)15-36-25(31)19-10-5-6-11-20(19)27-37(34,35)18-12-13-22(29)21(14-18)28(32)33/h5-14,27,29H,3-4,15H2,1-2H3,(H,26,30)