2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[1-(4-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:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

InChI

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