[(1R)-1-(3-nitrophenyl)ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)O[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-3-12-22-18-9-4-5-10-19(18)23(21(22)26)13-11-20(25)29-15(2)16-7-6-8-17(14-16)24(27)28/h4-10,14-15H,3,11-13H2,1-2H3/t15-/m1/s1