[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17BrFN3O4 MolecularWeight: 462.269083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17BrFN3O4/c1-12(19(27)24-17-7-6-13(21)10-15(17)22)29-18(26)8-9-25-11-23-16-5-3-2-4-14(16)20(25)28/h2-7,10-12H,8-9H2,1H3,(H,24,27)