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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-4-9(3)13-12(15)10-7-5-6-8(2)11(10)14(16)17/h5-7,9H,4H2,1-3H3,(H,13,15)/t9-/m0/s1