4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzamide Formula: C15H15N7O3 MolecularWeight: 341.3247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC=NN3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC=NN3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O3/c1-9-13(22(24)25)10(2)21(20-9)7-11-3-5-12(6-4-11)14(23)18-15-16-8-17-19-15/h3-6,8H,7H2,1-2H3,(H2,16,17,18,19,23)