[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C23H19N3O9S MolecularWeight: 513.47666

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O9S/c27-22(24-16-5-7-18(8-6-16)26(29)30)14-35-23(28)15-1-3-17(4-2-15)25-36(31,32)19-9-10-20-21(13-19)34-12-11-33-20/h1-10,13,25H,11-12,14H2,(H,24,27)