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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

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