ethyl 3-(4-nitrophenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-(4-nitrophenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(4-nitrophenyl)propanoate CAS Name: 3-(4-nitrophenyl)-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[benzyl(pyroglutamoyl)amino]-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N(CC2=CC=CC=C2)C(=O)C3CCC(=O)N3

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N(CC2=CC=CC=C2)C(=O)C3CCC(=O)N3

InChI

InChI=1S/C23H25N3O6/c1-2-32-23(29)20(14-16-8-10-18(11-9-16)26(30)31)25(15-17-6-4-3-5-7-17)22(28)19-12-13-21(27)24-19/h3-11,19-20H,2,12-15H2,1H3,(H,24,27)