3-methyl-2-nitro-N-[(2S)-pentan-2-yl]benzamide

Systemtic Name: 3-methyl-2-nitro-N-[(2S)-pentan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-1-methylbutyl]-2-nitro-benzamide CAS Name: 3-methyl-2-nitro-N-[(2S)-pentan-2-yl]benzamide IUPAC Name: 3-methyl-2-nitro-N-[(2S)-pentan-2-yl]benzamide Traditional Name: 3-methyl-N-[(1S)-1-methylbutyl]-2-nitro-benzamide Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=C(C(=CC=C1)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-4-6-10(3)14-13(16)11-8-5-7-9(2)12(11)15(17)18/h5,7-8,10H,4,6H2,1-3H3,(H,14,16)/t10-/m0/s1