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

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butyramide Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC(=CC(=C2C)C)C)[N+](=O)[O-])N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC(=CC(=C2C)C)C)[N+](=O)[O-])N3C=C(C=N3)Br

InChI

InChI=1S/C22H23BrN4O4/c1-5-20(26-12-16(23)11-24-26)22(28)25-17-8-18(27(29)30)10-19(9-17)31-21-7-13(2)6-14(3)15(21)4/h6-12,20H,5H2,1-4H3,(H,25,28)