2-methyl-5-nitro-N-[(1S)-1-oxidanyl-1-phenyl-propan-2-yl]benzamide

Systemtic Name: 2-methyl-5-nitro-N-[(1S)-1-oxidanyl-1-phenyl-propan-2-yl]benzamide Openeye Name: N-[(2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-2-methyl-5-nitro-benzamide CAS Name: N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-5-nitrobenzamide IUPAC Name: N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-5-nitrobenzamide Traditional Name: N-[(2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-2-methyl-5-nitro-benzamide Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-11-8-9-14(19(22)23)10-15(11)17(21)18-12(2)16(20)13-6-4-3-5-7-13/h3-10,12,16,20H,1-2H3,(H,18,21)/t12?,16-/m1/s1