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

Systemtic Name: 3-methoxy-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)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-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)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H13N7O4 MolecularWeight: 343.29752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC=CC=C3

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H13N7O4/c1-25-13-11(21(23)24)10(17-18-13)12(22)16-14-15-8-20(19-14)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,18)(H,16,19,22)