(2S)-2-(4-methanoyl-2-nitro-phenoxy)-N-[(2S)-2-phenylbutyl]propanamide

Systemtic Name: (2S)-2-(4-methanoyl-2-nitro-phenoxy)-N-[(2S)-2-phenylbutyl]propanamide Openeye Name: (2S)-2-(4-formyl-2-nitro-phenoxy)-N-[(2S)-2-phenylbutyl]propanamide CAS Name: (2S)-2-(4-formyl-2-nitrophenoxy)-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: (2S)-2-(4-formyl-2-nitrophenoxy)-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: (2S)-2-(4-formyl-2-nitro-phenoxy)-N-[(2S)-2-phenylbutyl]propionamide Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC1=C(C=C(C=C1)C=O)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC1=C(C=C(C=C1)C=O)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-3-16(17-7-5-4-6-8-17)12-21-20(24)14(2)27-19-10-9-15(13-23)11-18(19)22(25)26/h4-11,13-14,16H,3,12H2,1-2H3,(H,21,24)/t14-,16+/m0/s1