4-chloranyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide Formula: C18H15ClN4O4 MolecularWeight: 386.7891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3)Cl)C

InChI

InChI=1S/C18H15ClN4O4/c1-10-3-11(2)5-14(4-10)27-15-7-12(6-13(8-15)23(25)26)21-18(24)17-16(19)9-20-22-17/h3-9H,1-2H3,(H,20,22)(H,21,24)