2-[(8aR)-6-bromanyl-2-oxidanylidene-4-phenyl-1,8a-dihydroquinazolin-3-yl]ethanoate

Systemtic Name: 2-[(8aR)-6-bromanyl-2-oxidanylidene-4-phenyl-1,8a-dihydroquinazolin-3-yl]ethanoate Openeye Name: 2-[(8aR)-6-bromo-2-oxo-4-phenyl-1,8a-dihydroquinazolin-3-yl]acetate CAS Name: 2-[(8aR)-6-bromo-2-oxo-4-phenyl-1,8a-dihydroquinazolin-3-yl]acetate IUPAC Name: 2-[(8aR)-6-bromo-2-oxo-4-phenyl-1,8a-dihydroquinazolin-3-yl]acetate Traditional Name: 2-[(8aR)-6-bromo-2-keto-4-phenyl-1,8a-dihydroquinazolin-3-yl]acetate Formula: C16H12BrN2O3- MolecularWeight: 360.18208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3NC(=O)N2CC(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=C[C@H]3NC(=O)N2CC(=O)[O-])Br

InChI

InChI=1S/C16H13BrN2O3/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19(9-14(20)21)16(22)18-13/h1-8,13H,9H2,(H,18,22)(H,20,21)/p-1/t13-/m1/s1