O1-tert-butyl O4-methyl 4-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl]piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl 4-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl]piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 4-[[3-(4-nitrophenyl)isoxazol-5-yl]methyl]piperidine-1,4-dicarboxylate CAS Name: 4-[[3-(4-nitrophenyl)-5-isoxazolyl]methyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl 4-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[[3-(4-nitrophenyl)isoxazol-5-yl]methyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H27N3O7/c1-21(2,3)31-20(27)24-11-9-22(10-12-24,19(26)30-4)14-17-13-18(23-32-17)15-5-7-16(8-6-15)25(28)29/h5-8,13H,9-12,14H2,1-4H3