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

Systemtic Name: 4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H11N7O3 MolecularWeight: 313.27154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N7O3/c21-12(11-10(20(22)23)6-15-17-11)16-13-14-8-19(18-13)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,17)(H,16,18,21)