3-(4-cyano-3-methyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid

Systemtic Name: 3-(4-cyano-3-methyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid Openeye Name: 3-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid CAS Name: 3-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid IUPAC Name: 3-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid Traditional Name: 3-(4-cyano-1-keto-3-methyl-5H-pyrido[1,2-a]benzimidazol-2-yl)propionic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCC(=O)O

InChI

InChI=1S/C16H13N3O3/c1-9-10(6-7-14(20)21)16(22)19-13-5-3-2-4-12(13)18-15(19)11(9)8-17/h2-5,18H,6-7H2,1H3,(H,20,21)