methyl 1-[2-(4-nitroimidazol-1-yl)-2-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-(4-nitroimidazol-1-yl)-2-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(4-nitroimidazol-1-yl)-2-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-(4-nitro-1-imidazolyl)-1-oxo-2-phenylpropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-nitroimidazol-1-yl)-2-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(4-nitroimidazol-1-yl)-2-phenyl-propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)N2CCCC2C(=O)OC)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)N2CCCC2C(=O)OC)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c1-18(13-7-4-3-5-8-13,20-11-15(19-12-20)22(25)26)17(24)21-10-6-9-14(21)16(23)27-2/h3-5,7-8,11-12,14H,6,9-10H2,1-2H3