3-(4-cyano-3-methyl-1-oxidanidyl-pyrido[1,2-a]benzimidazol-2-yl)propanoate

Systemtic Name: 3-(4-cyano-3-methyl-1-oxidanidyl-pyrido[1,2-a]benzimidazol-2-yl)propanoate Openeye Name: 3-(4-cyano-3-methyl-1-oxido-pyrido[1,2-a]benzimidazol-2-yl)propanoate CAS Name: 3-(4-cyano-3-methyl-1-oxido-2-pyrido[1,2-a]benzimidazolyl)propanoate IUPAC Name: 3-(4-cyano-3-methyl-1-oxidopyrido[1,2-a]benzimidazol-2-yl)propanoate Traditional Name: 3-(4-cyano-3-methyl-1-oxido-pyrido[1,2-a]benzimidazol-2-yl)propionate Formula: C16H11N3O3-2 MolecularWeight: 293.27684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)[O-])[O-])C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)[O-])[O-])C#N

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/h2-5,22H,6-7H2,1H3,(H,20,21)/p-2