3-(4-bromanylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propionamide Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C=N3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C=N3)Br)C

InChI

InChI=1S/C20H19BrN4O4/c1-13-5-14(2)7-18(6-13)29-19-9-16(8-17(10-19)25(27)28)23-20(26)3-4-24-12-15(21)11-22-24/h5-12H,3-4H2,1-2H3,(H,23,26)