O1-tert-butyl O3-methyl (3S,4S)-4-[(2,4-dinitrophenyl)amino]piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl (3S,4S)-4-[(2,4-dinitrophenyl)amino]piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl (3S,4S)-4-(2,4-dinitroanilino)piperidine-1,3-dicarboxylate CAS Name: (3S,4S)-4-(2,4-dinitroanilino)piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl (3S,4S)-4-(2,4-dinitroanilino)piperidine-1,3-dicarboxylate Traditional Name: (3S,4S)-4-(2,4-dinitroanilino)piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C18H24N4O8 MolecularWeight: 424.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)C(=O)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O8/c1-18(2,3)30-17(24)20-8-7-13(12(10-20)16(23)29-4)19-14-6-5-11(21(25)26)9-15(14)22(27)28/h5-6,9,12-13,19H,7-8,10H2,1-4H3/t12-,13-/m0/s1