2-chloranyl-5-[(4-oxidanylidene-1-prop-2-enyl-quinazolin-2-yl)amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4-oxidanylidene-1-prop-2-enyl-quinazolin-2-yl)amino]benzoic acid Openeye Name: 5-[(1-allyl-4-oxo-quinazolin-2-yl)amino]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[(4-oxo-1-prop-2-enyl-2-quinazolinyl)amino]benzoic acid IUPAC Name: 2-chloro-5-[(4-oxo-1-prop-2-enylquinazolin-2-yl)amino]benzoic acid Traditional Name: 5-[(1-allyl-4-keto-quinazolin-2-yl)amino]-2-chloro-benzoic acid Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C(=O)N=C1NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C=CCN1C2=CC=CC=C2C(=O)N=C1NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H14ClN3O3/c1-2-9-22-15-6-4-3-5-12(15)16(23)21-18(22)20-11-7-8-14(19)13(10-11)17(24)25/h2-8,10H,1,9H2,(H,24,25)(H,20,21,23)