4-[(3-carboxyphenyl)amino]quinazoline-5-carboxylic acid

Systemtic Name: 4-[(3-carboxyphenyl)amino]quinazoline-5-carboxylic acid Openeye Name: 4-(3-carboxyanilino)quinazoline-5-carboxylic acid CAS Name: 4-(3-carboxyanilino)-5-quinazolinecarboxylic acid IUPAC Name: 4-(3-carboxyanilino)quinazoline-5-carboxylic acid Traditional Name: 4-(3-carboxyanilino)quinazoline-5-carboxylic acid Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=CC=CC(=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=CC=CC(=C32)C(=O)O)C(=O)O

InChI

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