1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-octadecyl-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C29H45ClN4O4 MolecularWeight: 549.145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C29H45ClN4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-29(35)27-20-22-33(32-27)24-38-28-19-18-25(34(36)37)23-26(28)30/h18-20,22-23H,2-17,21,24H2,1H3,(H,31,35)