2-(4-bromanylpyrazol-1-yl)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]butyramide Formula: C20H18BrClN4O4 MolecularWeight: 493.73832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrClN4O4/c1-3-19(25-11-13(21)10-23-25)20(27)24-14-7-15(26(28)29)9-17(8-14)30-16-4-5-18(22)12(2)6-16/h4-11,19H,3H2,1-2H3,(H,24,27)