2-(8-bromanyl-11-oxidanylidene-pyrido[2,1-b]quinazolin-2-yl)-2-cyano-propanoic acid

Systemtic Name: 2-(8-bromanyl-11-oxidanylidene-pyrido[2,1-b]quinazolin-2-yl)-2-cyano-propanoic acid Openeye Name: 2-(8-bromo-11-oxo-pyrido[2,1-b]quinazolin-2-yl)-2-cyano-propanoic acid CAS Name: 2-(8-bromo-11-oxo-2-pyrido[2,1-b]quinazolinyl)-2-cyanopropanoic acid IUPAC Name: 2-(8-bromo-11-oxopyrido[2,1-b]quinazolin-2-yl)-2-cyanopropanoic acid Traditional Name: 2-(8-bromo-11-keto-pyrido[2,1-b]quinazolin-2-yl)-2-cyano-propionic acid Formula: C16H10BrN3O3 MolecularWeight: 372.1729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)Br)C(=O)O

Isomeric SMILES

CC(C#N)(C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)Br)C(=O)O

InChI

InChI=1S/C16H10BrN3O3/c1-16(8-18,15(22)23)9-2-4-12-11(6-9)14(21)20-7-10(17)3-5-13(20)19-12/h2-7H,1H3,(H,22,23)