dipropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate

Systemtic Name: dipropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate Openeye Name: dipropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-3,5-dicarboxylic acid dipropyl ester IUPAC Name: dipropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-3,5-dicarboxylic acid dipropyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC)C)C

Isomeric SMILES

CCCOC(=O)C1C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC)C)C

InChI

InChI=1S/C21H28N2O6/c1-5-10-28-20(24)17-13(3)22-14(4)18(21(25)29-11-6-2)19(17)15-8-7-9-16(12-15)23(26)27/h7-9,12-13,17,19,22H,5-6,10-11H2,1-4H3