3-[(4-nitropyrazol-1-yl)methyl]-N-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methyl]-N-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: N-benzyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-[(4-nitro-1-pyrazolyl)methyl]-N-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide IUPAC Name: N-benzyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: N-benzyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O4/c21-13(15-6-10-4-2-1-3-5-10)14-17-12(18-24-14)9-19-8-11(7-16-19)20(22)23/h1-5,7-8H,6,9H2,(H,15,21)