4-[(4-carboxyphenyl)amino]quinazoline-5-carboxylic acid hydrochloride

Systemtic Name: 4-[(4-carboxyphenyl)amino]quinazoline-5-carboxylic acid hydrochloride Openeye Name: 4-(4-carboxyanilino)quinazoline-5-carboxylic acid hydrochloride CAS Name: 4-(4-carboxyanilino)-5-quinazolinecarboxylic acid hydrochloride IUPAC Name: 4-(4-carboxyanilino)quinazoline-5-carboxylic acid hydrochloride Traditional Name: 4-(4-carboxyanilino)quinazoline-5-carboxylic acid hydrochloride Formula: C16H12ClN3O4 MolecularWeight: 345.73718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N=CN=C2NC3=CC=C(C=C3)C(=O)O)C(=O)O.Cl

Isomeric SMILES

C1=CC(=C2C(=C1)N=CN=C2NC3=CC=C(C=C3)C(=O)O)C(=O)O.Cl

InChI

InChI=1S/C16H11N3O4.ClH/c20-15(21)9-4-6-10(7-5-9)19-14-13-11(16(22)23)2-1-3-12(13)17-8-18-14;/h1-8H,(H,20,21)(H,22,23)(H,17,18,19);1H