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

Systemtic Name: (2S)-2-methyl-N-(2-methyl-4-nitro-phenyl)butanamide Openeye Name: (2S)-2-methyl-N-(2-methyl-4-nitro-phenyl)butanamide CAS Name: (2S)-2-methyl-N-(2-methyl-4-nitrophenyl)butanamide IUPAC Name: (2S)-2-methyl-N-(2-methyl-4-nitrophenyl)butanamide Traditional Name: (2S)-2-methyl-N-(2-methyl-4-nitro-phenyl)butyramide Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-4-8(2)12(15)13-11-6-5-10(14(16)17)7-9(11)3/h5-8H,4H2,1-3H3,(H,13,15)/t8-/m0/s1