(2S)-2-bromanyl-3-methyl-N-(4-methyl-3-nitro-phenyl)butanamide

Systemtic Name: (2S)-2-bromanyl-3-methyl-N-(4-methyl-3-nitro-phenyl)butanamide Openeye Name: (2S)-2-bromo-3-methyl-N-(4-methyl-3-nitro-phenyl)butanamide CAS Name: (2S)-2-bromo-3-methyl-N-(4-methyl-3-nitrophenyl)butanamide IUPAC Name: (2S)-2-bromo-3-methyl-N-(4-methyl-3-nitrophenyl)butanamide Traditional Name: (2S)-2-bromo-3-methyl-N-(4-methyl-3-nitro-phenyl)butyramide Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H15BrN2O3/c1-7(2)11(13)12(16)14-9-5-4-8(3)10(6-9)15(17)18/h4-7,11H,1-3H3,(H,14,16)/t11-/m0/s1