2-(4-nitroimidazol-1-yl)octanoyl 4-phenoxypyrrolidine-2-carboxylate

Systemtic Name: 2-(4-nitroimidazol-1-yl)octanoyl 4-phenoxypyrrolidine-2-carboxylate Openeye Name: 2-(4-nitroimidazol-1-yl)octanoyl 4-phenoxypyrrolidine-2-carboxylate CAS Name: 4-phenoxy-2-pyrrolidinecarboxylic acid [2-(4-nitro-1-imidazolyl)-1-oxooctyl] ester IUPAC Name: 2-(4-nitroimidazol-1-yl)octanoyl 4-phenoxypyrrolidine-2-carboxylate Traditional Name: 4-phenoxypyrrolidine-2-carboxylic acid 2-(4-nitroimidazol-1-yl)octanoyl ester Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC(=O)C1CC(CN1)OC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)OC(=O)C1CC(CN1)OC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6/c1-2-3-4-8-11-19(25-14-20(24-15-25)26(29)30)22(28)32-21(27)18-12-17(13-23-18)31-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19,23H,2-4,8,11-13H2,1H3