3-[2-(1-bromoethyl)-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-(1-bromoethyl)-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-(1-bromoethyl)-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-(1-bromoethyl)-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-(1-bromoethyl)-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-(1-bromoethyl)-4-keto-quinazolin-3-yl]propionic acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1CCC(=O)O)Br

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1CCC(=O)O)Br

InChI

InChI=1S/C13H13BrN2O3/c1-8(14)12-15-10-5-3-2-4-9(10)13(19)16(12)7-6-11(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)