4-[(4-carboxy-2-chloranyl-5-methoxy-phenyl)amino]quinazoline-7-carboxylic acid

Systemtic Name: 4-[(4-carboxy-2-chloranyl-5-methoxy-phenyl)amino]quinazoline-7-carboxylic acid Openeye Name: 4-(4-carboxy-2-chloro-5-methoxy-anilino)quinazoline-7-carboxylic acid CAS Name: 4-(4-carboxy-2-chloro-5-methoxyanilino)-7-quinazolinecarboxylic acid IUPAC Name: 4-(4-carboxy-2-chloro-5-methoxyanilino)quinazoline-7-carboxylic acid Traditional Name: 4-(4-carboxy-2-chloro-5-methoxy-anilino)quinazoline-7-carboxylic acid Formula: C17H12ClN3O5 MolecularWeight: 373.74728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC2=NC=NC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC2=NC=NC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H12ClN3O5/c1-26-14-6-13(11(18)5-10(14)17(24)25)21-15-9-3-2-8(16(22)23)4-12(9)19-7-20-15/h2-7H,1H3,(H,22,23)(H,24,25)(H,19,20,21)