O5-(2-cyanoethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Systemtic Name: O5-(2-cyanoethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Openeye Name: O5-(2-cyanoethyl) O3-isopropyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O5-(2-cyanoethyl) ester O3-propan-2-yl ester IUPAC Name: 5-O-(2-cyanoethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O5-(2-cyanoethyl) ester O3-isopropyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C21H21N3O6/c1-12(2)30-21(26)18-14(4)23-13(3)17(20(25)29-10-6-9-22)19(18)15-7-5-8-16(11-15)24(27)28/h5,7-8,11-12H,6,10H2,1-4H3