methyl (3E)-3-(aminocarbonylhydrazinylidene)-2-[1H-benzimidazol-2-yl(cyano)methyl]butanoate

Systemtic Name: methyl (3E)-3-(aminocarbonylhydrazinylidene)-2-[1H-benzimidazol-2-yl(cyano)methyl]butanoate Openeye Name: methyl (3E)-2-[1H-benzimidazol-2-yl(cyano)methyl]-3-(carbamoylhydrazono)butanoate CAS Name: (3E)-2-[1H-benzimidazol-2-yl(cyano)methyl]-3-(carbamoylhydrazinylidene)butanoic acid methyl ester IUPAC Name: methyl (3E)-2-[1H-benzimidazol-2-yl(cyano)methyl]-3-(carbamoylhydrazinylidene)butanoate Traditional Name: (3E)-2-[1H-benzimidazol-2-yl(cyano)methyl]-3-semicarbazono-butyric acid methyl ester Formula: C15H16N6O3 MolecularWeight: 328.32594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)C(C(C#N)C1=NC2=CC=CC=C2N1)C(=O)OC

Isomeric SMILES

C/C(=N\NC(=O)N)/C(C(C#N)C1=NC2=CC=CC=C2N1)C(=O)OC

InChI

InChI=1S/C15H16N6O3/c1-8(20-21-15(17)23)12(14(22)24-2)9(7-16)13-18-10-5-3-4-6-11(10)19-13/h3-6,9,12H,1-2H3,(H,18,19)(H3,17,21,23)/b20-8+