[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C23H19N3O10S MolecularWeight: 529.47606

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H19N3O10S/c27-19-6-4-15(25-37(32,33)17-3-1-2-16(12-17)26(30)31)10-18(19)23(29)36-13-22(28)24-14-5-7-20-21(11-14)35-9-8-34-20/h1-7,10-12,25,27H,8-9,13H2,(H,24,28)