3,4-dimethyl-N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethyl-benzamide CAS Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide Traditional Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethyl-benzamide Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-11-3-4-14(9-12(11)2)17(21)18-10-16(20)13-5-7-15(8-6-13)19(22)23/h3-9,16,20H,10H2,1-2H3,(H,18,21)/t16-/m1/s1