2-(3-methyl-4-nitro-phenoxy)-N-[(2S)-octan-2-yl]ethanamide

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-N-[(2S)-octan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylheptyl]-2-(3-methyl-4-nitro-phenoxy)acetamide CAS Name: 2-(3-methyl-4-nitrophenoxy)-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-(3-methyl-4-nitrophenoxy)-N-[(2S)-octan-2-yl]acetamide Traditional Name: N-[(1S)-1-methylheptyl]-2-(3-methyl-4-nitro-phenoxy)acetamide Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C17H26N2O4/c1-4-5-6-7-8-14(3)18-17(20)12-23-15-9-10-16(19(21)22)13(2)11-15/h9-11,14H,4-8,12H2,1-3H3,(H,18,20)/t14-/m0/s1