4-[(3-azanyl-2-oxidanylidene-1H-benzo[f]quinazolin-2-ium-9-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(3-azanyl-2-oxidanylidene-1H-benzo[f]quinazolin-2-ium-9-yl)sulfamoyl]benzoic acid Openeye Name: 4-[(3-amino-2-oxo-1H-benzo[f]quinazolin-2-ium-9-yl)sulfamoyl]benzoic acid CAS Name: 4-[(3-amino-2-oxo-1H-benzo[f]quinazolin-2-ium-9-yl)sulfamoyl]benzoic acid IUPAC Name: 4-[(3-amino-2-oxo-1H-benzo[f]quinazolin-2-ium-9-yl)sulfamoyl]benzoic acid Traditional Name: 4-[(3-amino-2-keto-1H-benzo[f]quinazolin-2-ium-9-yl)sulfamoyl]benzoic acid Formula: C19H15N4O5S+ MolecularWeight: 411.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)N=C([N+]1=O)N

Isomeric SMILES

C1C2=C(C=CC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)N=C([N+]1=O)N

InChI

InChI=1S/C19H14N4O5S/c20-19-21-17-8-4-11-1-5-13(9-15(11)16(17)10-23(19)26)22-29(27,28)14-6-2-12(3-7-14)18(24)25/h1-9,22H,10H2,(H2-,20,21,24,25)/p+1