2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]propanamide

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]propionamide Formula: C20H18BrClN4O4 MolecularWeight: 493.73832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C)Br

InChI

InChI=1S/C20H18BrClN4O4/c1-11-19(21)12(2)25(24-11)13(3)20(27)23-15-8-16(26(28)29)10-18(9-15)30-17-6-4-14(22)5-7-17/h4-10,13H,1-3H3,(H,23,27)