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

Systemtic Name: ethyl (3E)-3-(aminocarbonylhydrazinylidene)-2-[1H-benzimidazol-2-yl(cyano)methyl]butanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O3/c1-3-25-15(23)13(9(2)21-22-16(18)24)10(8-17)14-19-11-6-4-5-7-12(11)20-14/h4-7,10,13H,3H2,1-2H3,(H,19,20)(H3,18,22,24)/b21-9+