(4-bromanyl-2-fluoranyl-phenyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (4-bromo-2-fluoro-phenyl) ester Formula: C18H12BrFN2O3 MolecularWeight: 403.201883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=C(C=C(C=C4)Br)F)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=C(C=C(C=C4)Br)F)C(=O)N2C1

InChI

InChI=1S/C18H12BrFN2O3/c19-11-4-6-15(13(20)9-11)25-18(24)10-3-5-12-14(8-10)21-16-2-1-7-22(16)17(12)23/h3-6,8-9H,1-2,7H2