[4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3-keto-4H-1,4-benzoxazin-6-yl)carbamoyl]phenyl] ester Formula: C21H15N3O8S MolecularWeight: 469.4241

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O8S/c25-20-12-31-19-9-6-14(10-18(19)23-20)22-21(26)13-4-7-16(8-5-13)32-33(29,30)17-3-1-2-15(11-17)24(27)28/h1-11H,12H2,(H,22,26)(H,23,25)