O3-(2-cyanoethyl) O5-ethyl 3-methoxy-2,5-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate

Systemtic Name: O3-(2-cyanoethyl) O5-ethyl 3-methoxy-2,5-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate Openeye Name: O3-(2-cyanoethyl) O5-ethyl 3-methoxy-2,5-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate CAS Name: 3-methoxy-2,5-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-ethyl ester IUPAC Name: 3-O-(2-cyanoethyl) 5-O-ethyl 3-methoxy-2,5-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate Traditional Name: 3-methoxy-2,5-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-ethyl ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CNC(C(C1C2=CC(=CC=C2)[N+](=O)[O-])(C(=O)OCCC#N)OC)C)C

Isomeric SMILES

CCOC(=O)C1(CNC(C(C1C2=CC(=CC=C2)[N+](=O)[O-])(C(=O)OCCC#N)OC)C)C

InChI

InChI=1S/C21H27N3O7/c1-5-30-18(25)20(3)13-23-14(2)21(29-4,19(26)31-11-7-10-22)17(20)15-8-6-9-16(12-15)24(27)28/h6,8-9,12,14,17,23H,5,7,11,13H2,1-4H3