1-(4-chlorophenyl)-5-(2-ethyl-5-methyl-4-nitro-pyrazol-3-yl)-1,2,3,4-tetrazole

Systemtic Name: 1-(4-chlorophenyl)-5-(2-ethyl-5-methyl-4-nitro-pyrazol-3-yl)-1,2,3,4-tetrazole Openeye Name: 1-(4-chlorophenyl)-5-(2-ethyl-5-methyl-4-nitro-pyrazol-3-yl)tetrazole CAS Name: 1-(4-chlorophenyl)-5-(2-ethyl-5-methyl-4-nitro-3-pyrazolyl)tetrazole IUPAC Name: 1-(4-chlorophenyl)-5-(2-ethyl-5-methyl-4-nitropyrazol-3-yl)tetrazole Traditional Name: 1-(4-chlorophenyl)-5-(2-ethyl-5-methyl-4-nitro-pyrazol-3-yl)tetrazole Formula: C13H12ClN7O2 MolecularWeight: 333.73308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C2=NN=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C2=NN=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClN7O2/c1-3-19-12(11(21(22)23)8(2)16-19)13-15-17-18-20(13)10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3