1-(2-cyanoethyl)-2-ethyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-2-ethyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid Openeye Name: 1-(2-cyanoethyl)-2-ethyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid CAS Name: 1-(2-cyanoethyl)-2-ethyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-2-ethyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid Traditional Name: 1-(2-cyanoethyl)-2-ethyl-4,6-dimethyl-4-(3-nitrophenyl)dinicotinic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1CCC#N)C)C(=O)O)(C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1CCC#N)C)C(=O)O)(C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H21N3O6/c1-4-15-17(19(26)27)20(3,13-7-5-8-14(11-13)23(28)29)16(18(24)25)12(2)22(15)10-6-9-21/h5,7-8,11H,4,6,10H2,1-3H3,(H,24,25)(H,26,27)