5-(2-cyanoethoxycarbonyl)-2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid

Systemtic Name: 5-(2-cyanoethoxycarbonyl)-2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Openeye Name: 5-(2-cyanoethoxycarbonyl)-2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid CAS Name: 5-[2-cyanoethoxy(oxo)methyl]-2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid IUPAC Name: 5-(2-cyanoethoxycarbonyl)-2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Traditional Name: 5-(2-cyanoethoxycarbonyl)-2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])CC)C(=O)OCCC#N)C(=O)O

Isomeric SMILES

CCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])CC)C(=O)OCCC#N)C(=O)O

InChI

InChI=1S/C20H21N3O6/c1-3-17-15(19(24)25)12-16(20(26)29-11-5-10-21)18(4-2)22(17)13-6-8-14(9-7-13)23(27)28/h6-9H,3-5,11-12H2,1-2H3,(H,24,25)