1-ethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-nitro-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide CAS Name: 1-ethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-ethyl-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O3/c1-3-21-9-13(23(25)26)14(19-21)15(24)18-16-17-10-22(20-16)8-12-7-5-4-6-11(12)2/h4-7,9-10H,3,8H2,1-2H3,(H,18,20,24)