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

Systemtic Name: N-[(2S)-2-ethylhexyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(2S)-2-ethylhexyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(2S)-2-ethylhexyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-2-ethylhexyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(2S)-2-ethylhexyl]-3-methyl-4-nitro-benzamide Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-4-6-7-13(5-2)11-17-16(19)14-8-9-15(18(20)21)12(3)10-14/h8-10,13H,4-7,11H2,1-3H3,(H,17,19)/t13-/m0/s1