N-(5-methyl-2-phenyl-pyrazol-3-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C16H17N7O3 MolecularWeight: 355.35128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H17N7O3/c1-12-10-14(22(19-12)13-6-3-2-4-7-13)18-15(24)8-5-9-21-11-17-16(20-21)23(25)26/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,24)