3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]propionamide Formula: C20H18BrClN4O4 MolecularWeight: 493.73832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C)Br

InChI

InChI=1S/C20H18BrClN4O4/c1-12-20(21)13(2)25(24-12)8-7-19(27)23-15-9-16(26(28)29)11-18(10-15)30-17-5-3-14(22)4-6-17/h3-6,9-11H,7-8H2,1-2H3,(H,23,27)