2-methyl-4-nitro-5-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-4-nitro-5-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-methyl-4-nitro-5-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-methyl-4-nitro-5-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-4-nitro-5-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-methyl-4-nitro-5-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C17H19N7O3 MolecularWeight: 369.37786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)C

InChI

InChI=1S/C17H19N7O3/c1-3-4-14-15(24(26)27)16(22(2)21-14)17(25)20-13-7-5-12(6-8-13)9-23-11-18-10-19-23/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,25)