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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)CC)C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)CC)C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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