[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 4-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 4-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-[(2-chloro-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(2-chloro-5-nitrophenyl)sulfonylamino]benzoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-[(2-chloro-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(2-chloro-5-nitro-phenyl)sulfonylamino]benzoic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C23H16ClN3O9S MolecularWeight: 545.90584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H16ClN3O9S/c24-17-7-6-16(27(31)32)10-21(17)37(33,34)26-15-4-1-13(2-5-15)23(30)36-11-19(28)14-3-8-20-18(9-14)25-22(29)12-35-20/h1-10,26H,11-12H2,(H,25,29)