2-(4-bromanylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]butyramide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC(=CC(=C2)C)C)[N+](=O)[O-])N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC(=CC(=C2)C)C)[N+](=O)[O-])N3C=C(C=N3)Br

InChI

InChI=1S/C21H21BrN4O4/c1-4-20(25-12-15(22)11-23-25)21(27)24-16-8-17(26(28)29)10-19(9-16)30-18-6-13(2)5-14(3)7-18/h5-12,20H,4H2,1-3H3,(H,24,27)