[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] ethanoate hydrochloride

Systemtic Name: [4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] ethanoate hydrochloride Openeye Name: [4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl] acetate hydrochloride CAS Name: acetic acid [4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl] ester hydrochloride IUPAC Name: [4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate hydrochloride Traditional Name: acetic acid [4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl] ester hydrochloride Formula: C17H14Cl2FN3O3 MolecularWeight: 398.215763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC.Cl

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC.Cl

InChI

InChI=1S/C17H13ClFN3O3.ClH/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10;/h3-8H,1-2H3,(H,20,21,22);1H