N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-1-ethyl-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide Formula: C20H19ClN4O4 MolecularWeight: 414.84226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H19ClN4O4/c1-4-24-13(3)19(12(2)23-24)20(26)22-15-9-16(25(27)28)11-18(10-15)29-17-7-5-14(21)6-8-17/h5-11H,4H2,1-3H3,(H,22,26)