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

Systemtic Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-nitro-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H13N7O3 MolecularWeight: 327.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N7O3/c1-9-2-4-10(5-3-9)7-20-8-15-14(19-20)16-13(22)11-6-12(18-17-11)21(23)24/h2-6,8H,7H2,1H3,(H,17,18)(H,16,19,22)