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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-nitro-1-pyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-[(4-nitropyrazol-1-yl)methyl]-N-veratryl-1,2,4-oxadiazole-5-carboxamide Formula: C16H16N6O6 MolecularWeight: 388.33484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N6O6/c1-26-12-4-3-10(5-13(12)27-2)6-17-15(23)16-19-14(20-28-16)9-21-8-11(7-18-21)22(24)25/h3-5,7-8H,6,9H2,1-2H3,(H,17,23)