[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H15BrFN3O4 MolecularWeight: 448.242503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H15BrFN3O4/c20-12-5-6-16(14(21)9-12)23-17(25)10-28-18(26)7-8-24-11-22-15-4-2-1-3-13(15)19(24)27/h1-6,9,11H,7-8,10H2,(H,23,25)