2-(4-bromanylpyrazol-1-yl)-N-(2-chloranyl-5-nitro-phenyl)butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-(2-chloranyl-5-nitro-phenyl)butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-(2-chloro-5-nitro-phenyl)butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-(2-chloro-5-nitrophenyl)butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-(2-chloro-5-nitrophenyl)butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-(2-chloro-5-nitro-phenyl)butyramide Formula: C13H12BrClN4O3 MolecularWeight: 387.61638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2C=C(C=N2)Br

InChI

InChI=1S/C13H12BrClN4O3/c1-2-12(18-7-8(14)6-16-18)13(20)17-11-5-9(19(21)22)3-4-10(11)15/h3-7,12H,2H2,1H3,(H,17,20)