4-fluoranyl-1-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)carbonyl-pyrrolidine-2-carboxylate

Systemtic Name: 4-fluoranyl-1-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)carbonyl-pyrrolidine-2-carboxylate Openeye Name: 1-(4-benzyloxy-5-methoxy-2-nitro-benzoyl)-4-fluoro-pyrrolidine-2-carboxylate CAS Name: 4-fluoro-1-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: 4-fluoro-1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylate Traditional Name: 1-(4-benzoxy-5-methoxy-2-nitro-benzoyl)-4-fluoro-pyrrolidine-2-carboxylate Formula: C20H18FN2O7- MolecularWeight: 417.364523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CC(CC2C(=O)[O-])F)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CC(CC2C(=O)[O-])F)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C20H19FN2O7/c1-29-17-8-14(19(24)22-10-13(21)7-16(22)20(25)26)15(23(27)28)9-18(17)30-11-12-5-3-2-4-6-12/h2-6,8-9,13,16H,7,10-11H2,1H3,(H,25,26)/p-1