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

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propionamide Formula: C21H21BrN4O5 MolecularWeight: 489.31924

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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)OC)[N+](=O)[O-])C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O5/c1-12-20(22)13(2)25(24-12)14(3)21(27)23-15-9-16(26(28)29)11-19(10-15)31-18-7-5-17(30-4)6-8-18/h5-11,14H,1-4H3,(H,23,27)