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

Systemtic Name: 3-nitro-N-[(2S)-pentan-2-yl]benzamide Openeye Name: N-[(1S)-1-methylbutyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[(2S)-pentan-2-yl]benzamide IUPAC Name: 3-nitro-N-[(2S)-pentan-2-yl]benzamide Traditional Name: N-[(1S)-1-methylbutyl]-3-nitro-benzamide Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-3-5-9(2)13-12(15)10-6-4-7-11(8-10)14(16)17/h4,6-9H,3,5H2,1-2H3,(H,13,15)/t9-/m0/s1