(phenylmethyl) 1-[2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-(4-nitro-1-imidazolyl)-1-oxooctyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5/c1-2-3-4-8-12-19(25-15-21(24-17-25)27(30)31)22(28)26-14-9-13-20(26)23(29)32-16-18-10-6-5-7-11-18/h5-7,10-11,15,17,19-20H,2-4,8-9,12-14,16H2,1H3