(4-nitrophenyl) (2S)-3-(4-acetyloxyphenyl)-2-(butanoylamino)propanoate

Systemtic Name: (4-nitrophenyl) (2S)-3-(4-acetyloxyphenyl)-2-(butanoylamino)propanoate Openeye Name: (4-nitrophenyl) (2S)-3-(4-acetoxyphenyl)-2-(butanoylamino)propanoate CAS Name: (2S)-3-(4-acetyloxyphenyl)-2-(1-oxobutylamino)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-3-(4-acetyloxyphenyl)-2-(butanoylamino)propanoate Traditional Name: (2S)-3-(4-acetoxyphenyl)-2-butyramido-propionic acid (4-nitrophenyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)OC(=O)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-3-4-20(25)22-19(13-15-5-9-17(10-6-15)29-14(2)24)21(26)30-18-11-7-16(8-12-18)23(27)28/h5-12,19H,3-4,13H2,1-2H3,(H,22,25)/t19-/m0/s1