N-butyl-2-(3-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-butyl-2-(3-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-butyl-2-(3-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-butyl-2-(3-chlorophenyl)-5-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-butyl-2-(3-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-butyl-2-(3-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3/c1-2-3-11-22-20(26)19-13-18(14-7-9-16(10-8-14)25(27)28)23-24(19)17-6-4-5-15(21)12-17/h4-10,12-13H,2-3,11H2,1H3,(H,22,26)