methyl 2-[(Z)-2-(4-bromanyl-2-fluoranyl-phenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(Z)-2-(4-bromanyl-2-fluoranyl-phenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(Z)-2-(4-bromo-2-fluoro-phenyl)-1-chloro-vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-2-(4-bromo-2-fluorophenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(Z)-2-(4-bromo-2-fluorophenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-2-(4-bromo-2-fluoro-phenyl)-1-chloro-vinyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H11BrClFN2O3 MolecularWeight: 437.646943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C(=CC3=C(C=C(C=C3)Br)F)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)/C(=C/C3=C(C=C(C=C3)Br)F)/Cl

InChI

InChI=1S/C18H11BrClFN2O3/c1-26-18(25)10-3-5-12-15(7-10)22-16(23-17(12)24)13(20)6-9-2-4-11(19)8-14(9)21/h2-8H,1H3,(H,22,23,24)/b13-6-