N-(2-cyanopropan-2-yl)-2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[5-(4-nitrophenyl)-2-tetrazolyl]acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide Formula: C13H13N7O3 MolecularWeight: 315.28742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#N)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O3/c1-13(2,8-14)15-11(21)7-19-17-12(16-18-19)9-3-5-10(6-4-9)20(22)23/h3-6H,7H2,1-2H3,(H,15,21)