N-[(2S)-heptan-2-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(2S)-heptan-2-yl]-3-methyl-4-nitro-benzamide Openeye Name: 3-methyl-N-[(1S)-1-methylhexyl]-4-nitro-benzamide CAS Name: N-[(2S)-heptan-2-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-heptan-2-yl]-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-N-[(1S)-1-methylhexyl]-4-nitro-benzamide Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-4-5-6-7-12(3)16-15(18)13-8-9-14(17(19)20)11(2)10-13/h8-10,12H,4-7H2,1-3H3,(H,16,18)/t12-/m0/s1