3-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-methyl-benzoic acid Formula: C18H16ClN3O4 MolecularWeight: 373.79034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl

InChI

InChI=1S/C18H16ClN3O4/c1-9-4-5-10(17(23)24)6-12(9)20-16-11-7-14(25-2)15(26-3)8-13(11)21-18(19)22-16/h4-8H,1-3H3,(H,23,24)(H,20,21,22)