3-[(2-chloranylquinazolin-4-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-chloranylquinazolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(2-chloroquinazolin-4-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[(2-chloro-4-quinazolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-chloroquinazolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2-chloroquinazolin-4-yl)amino]-4-methyl-benzoic acid Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O2/c1-9-6-7-10(15(21)22)8-13(9)18-14-11-4-2-3-5-12(11)19-16(17)20-14/h2-8H,1H3,(H,21,22)(H,18,19,20)