4-[5-(2-chlorophenyl)-1,2,3,4-tetrazol-2-yl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[5-(2-chlorophenyl)-1,2,3,4-tetrazol-2-yl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[5-(2-chlorophenyl)tetrazol-2-yl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[5-(2-chlorophenyl)-2-tetrazolyl]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[5-(2-chlorophenyl)tetrazol-2-yl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[5-(2-chlorophenyl)tetrazol-2-yl]-3-keto-butyronitrile Formula: C13H11ClN6O MolecularWeight: 302.71904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CN1N=C(N=N1)C2=CC=CC=C2Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CN1N=C(N=N1)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H11ClN6O/c1-8(16)10(6-15)12(21)7-20-18-13(17-19-20)9-4-2-3-5-11(9)14/h2-5,10,16H,7H2,1H3