4-methyl-3-nitro-N-[(2S)-2-oxidanyl-3-phenoxy-propoxy]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[(2S)-2-oxidanyl-3-phenoxy-propoxy]benzamide Openeye Name: N-[(2S)-2-hydroxy-3-phenoxy-propoxy]-4-methyl-3-nitro-benzamide CAS Name: N-[(2S)-2-hydroxy-3-phenoxypropoxy]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(2S)-2-hydroxy-3-phenoxypropoxy]-4-methyl-3-nitrobenzamide Traditional Name: N-[(2S)-2-hydroxy-3-phenoxy-propoxy]-4-methyl-3-nitro-benzamide Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NOCC(COC2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NOC[C@H](COC2=CC=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-12-7-8-13(9-16(12)19(22)23)17(21)18-25-11-14(20)10-24-15-5-3-2-4-6-15/h2-9,14,20H,10-11H2,1H3,(H,18,21)/t14-/m0/s1