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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O4/c1-8(15(18)19)12(2,13)10(16)11(17)14-9-6-4-3-5-7-9/h3-8,10,16H,1-2H3,(H,14,17)