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

Systemtic Name: 2-[(8aR)-6-bromanyl-2-oxidanylidene-4-phenyl-1,8a-dihydroquinazolin-3-yl]ethanoic acid Openeye Name: 2-[(8aR)-6-bromo-2-oxo-4-phenyl-1,8a-dihydroquinazolin-3-yl]acetic acid CAS Name: 2-[(8aR)-6-bromo-2-oxo-4-phenyl-1,8a-dihydroquinazolin-3-yl]acetic acid IUPAC Name: 2-[(8aR)-6-bromo-2-oxo-4-phenyl-1,8a-dihydroquinazolin-3-yl]acetic acid Traditional Name: 2-[(8aR)-6-bromo-2-keto-4-phenyl-1,8a-dihydroquinazolin-3-yl]acetic acid Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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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)/t13-/m1/s1