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

Systemtic Name: 5-(2-cyanoethoxycarbonyl)-2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-cyanoethoxycarbonyl)-2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[2-cyanoethoxy(oxo)methyl]-2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-cyanoethoxycarbonyl)-2-ethyl-4-(4-nitrophenyl)-6-pentyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amyl-5-(2-cyanoethoxycarbonyl)-2-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(C(=C(N1)CC)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC#N

Isomeric SMILES

CCCCCC1=C(C(C(=C(N1)CC)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC#N

InChI

InChI=1S/C23H27N3O6/c1-3-5-6-8-18-21(23(29)32-14-7-13-24)19(20(22(27)28)17(4-2)25-18)15-9-11-16(12-10-15)26(30)31/h9-12,19,25H,3-8,14H2,1-2H3,(H,27,28)