4-nitro-N-[(2S,3R)-2-oxidanylnonan-3-yl]benzamide

Systemtic Name: 4-nitro-N-[(2S,3R)-2-oxidanylnonan-3-yl]benzamide Openeye Name: N-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]-4-nitro-benzamide CAS Name: N-[(2S,3R)-2-hydroxynonan-3-yl]-4-nitrobenzamide IUPAC Name: N-[(2S,3R)-2-hydroxynonan-3-yl]-4-nitrobenzamide Traditional Name: N-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]-4-nitro-benzamide Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-3-4-5-6-7-15(12(2)19)17-16(20)13-8-10-14(11-9-13)18(21)22/h8-12,15,19H,3-7H2,1-2H3,(H,17,20)/t12-,15+/m0/s1