O1-tert-butyl O4-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-(2-methyl-6-nitroanilino)-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O7/c1-13-6-5-7-15(23(27)28)17(13)21-16(24)12-29-18(25)14-8-10-22(11-9-14)19(26)30-20(2,3)4/h5-7,14H,8-12H2,1-4H3,(H,21,24)