(4-nitrophenyl)methyl 5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: (4-nitrophenyl)methyl 5-anilino-5-oxo-pentanoate CAS Name: 5-anilino-5-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-anilino-5-oxopentanoate Traditional Name: 5-anilino-5-keto-valeric acid (4-nitrobenzyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c21-17(19-15-5-2-1-3-6-15)7-4-8-18(22)25-13-14-9-11-16(12-10-14)20(23)24/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,21)