sodium 2-azanyl-4-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoate

Systemtic Name: sodium 2-azanyl-4-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoate Openeye Name: sodium 2-amino-4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoate CAS Name: sodium 2-amino-4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoate IUPAC Name: sodium 2-amino-4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoate Traditional Name: sodium 2-amino-4-[(7-chloro-2,4-diketo-1H-quinazolin-3-yl)sulfonyl]benzoate Formula: C15H9ClN3NaO6S MolecularWeight: 417.75623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)N)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)N)C(=O)[O-].[Na+]

InChI

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