[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=C(C=CC(=C3)Br)N

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C17H14BrN3O3/c1-9(24-17(23)12-8-10(18)6-7-13(12)19)15-20-14-5-3-2-4-11(14)16(22)21-15/h2-9H,19H2,1H3,(H,20,21,22)/t9-/m0/s1