(3-phenylpropanoylamino) 2-[(3-nitrophenyl)methyl]butanoate

Systemtic Name: (3-phenylpropanoylamino) 2-[(3-nitrophenyl)methyl]butanoate Openeye Name: (3-phenylpropanoylamino) 2-[(3-nitrophenyl)methyl]butanoate CAS Name: 2-[(3-nitrophenyl)methyl]butanoic acid [(1-oxo-3-phenylpropyl)amino] ester IUPAC Name: (3-phenylpropanoylamino) 2-[(3-nitrophenyl)methyl]butanoate Traditional Name: 2-(3-nitrobenzyl)butyric acid (hydrocinnamoylamino) ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)ONC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)ONC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-2-17(13-16-9-6-10-18(14-16)22(25)26)20(24)27-21-19(23)12-11-15-7-4-3-5-8-15/h3-10,14,17H,2,11-13H2,1H3,(H,21,23)