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

Systemtic Name: 1-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-methyl-4-nitro-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide CAS Name: 1-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-methyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C15H15N7O3 MolecularWeight: 341.3247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N7O3/c1-10-3-5-11(6-4-10)7-21-9-16-15(19-21)17-14(23)13-12(22(24)25)8-20(2)18-13/h3-6,8-9H,7H2,1-2H3,(H,17,19,23)