N-(3-bromanyl-4-nitro-phenyl)-3-methyl-2-oxidanyl-pentanamide

Systemtic Name: N-(3-bromanyl-4-nitro-phenyl)-3-methyl-2-oxidanyl-pentanamide Openeye Name: N-(3-bromo-4-nitro-phenyl)-2-hydroxy-3-methyl-pentanamide CAS Name: N-(3-bromo-4-nitrophenyl)-2-hydroxy-3-methylpentanamide IUPAC Name: N-(3-bromo-4-nitrophenyl)-2-hydroxy-3-methylpentanamide Traditional Name: N-(3-bromo-4-nitro-phenyl)-2-hydroxy-3-methyl-valeramide Formula: C12H15BrN2O4 MolecularWeight: 331.1625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O4/c1-3-7(2)11(16)12(17)14-8-4-5-10(15(18)19)9(13)6-8/h4-7,11,16H,3H2,1-2H3,(H,14,17)