O1-tert-butyl O4-[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-tert-butyl 4-O-[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H26FN3O7 MolecularWeight: 439.434743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26FN3O7/c1-12(17(25)22-14-5-6-15(21)16(11-14)24(28)29)30-18(26)13-7-9-23(10-8-13)19(27)31-20(2,3)4/h5-6,11-13H,7-10H2,1-4H3,(H,22,25)