2-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)-4-keto-1H-quinazoline-7-carboxylate Formula: C17H12FN2O4- MolecularWeight: 327.286583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])F

InChI

InChI=1S/C17H13FN2O4/c1-24-14-5-2-9(6-12(14)18)7-15-19-13-8-10(17(22)23)3-4-11(13)16(21)20-15/h2-6,8H,7H2,1H3,(H,22,23)(H,19,20,21)/p-1