2-cyano-3,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yl-piperidine-3,5-dicarboxylic acid

Systemtic Name: 2-cyano-3,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yl-piperidine-3,5-dicarboxylic acid Openeye Name: 2-cyano-5-isopropyl-3,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid CAS Name: 2-cyano-3,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-ylpiperidine-3,5-dicarboxylic acid IUPAC Name: 2-cyano-3,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-ylpiperidine-3,5-dicarboxylic acid Traditional Name: 2-cyano-5-isopropyl-3,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(N1)C#N)(C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])(C(C)C)C(=O)O

Isomeric SMILES

CC1C(C(C(C(N1)C#N)(C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])(C(C)C)C(=O)O

InChI

InChI=1S/C19H23N3O6/c1-10(2)19(17(25)26)11(3)21-14(9-20)18(4,16(23)24)15(19)12-6-5-7-13(8-12)22(27)28/h5-8,10-11,14-15,21H,1-4H3,(H,23,24)(H,25,26)