2-azanyl-4-[[6-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoic acid

Systemtic Name: 2-azanyl-4-[[6-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoic acid Openeye Name: 2-amino-4-[(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoic acid CAS Name: 2-amino-4-[(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoic acid IUPAC Name: 2-amino-4-[(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoic acid Traditional Name: 2-amino-4-[(6-chloro-2,4-diketo-1H-quinazolin-3-yl)sulfonyl]benzoic acid Formula: C15H10ClN3O6S MolecularWeight: 395.7744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)N)C(=O)O

InChI

InChI=1S/C15H10ClN3O6S/c16-7-1-4-12-10(5-7)13(20)19(15(23)18-12)26(24,25)8-2-3-9(14(21)22)11(17)6-8/h1-6H,17H2,(H,18,23)(H,21,22)