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

Systemtic Name: 4-fluoranyl-1-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)carbonyl-pyrrolidine-2-carbaldehyde Openeye Name: 1-(4-benzyloxy-5-methoxy-2-nitro-benzoyl)-4-fluoro-pyrrolidine-2-carbaldehyde CAS Name: 4-fluoro-1-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxaldehyde IUPAC Name: 4-fluoro-1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)pyrrolidine-2-carbaldehyde Traditional Name: 1-(4-benzoxy-5-methoxy-2-nitro-benzoyl)-4-fluoro-pyrrolidine-2-carbaldehyde Formula: C20H19FN2O6 MolecularWeight: 402.373063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O6/c1-28-18-8-16(20(25)22-10-14(21)7-15(22)11-24)17(23(26)27)9-19(18)29-12-13-5-3-2-4-6-13/h2-6,8-9,11,14-15H,7,10,12H2,1H3