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

Systemtic Name: 5-(2-cyanoethoxycarbonyl)-4-(4-nitrophenyl)-2,6-dipropyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-cyanoethoxycarbonyl)-4-(4-nitrophenyl)-2,6-dipropyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[2-cyanoethoxy(oxo)methyl]-4-(4-nitrophenyl)-2,6-dipropyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-cyanoethoxycarbonyl)-4-(4-nitrophenyl)-2,6-dipropyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(2-cyanoethoxycarbonyl)-4-(4-nitrophenyl)-2,6-dipropyl-1,4-dihydropyridine-3-carboxylic acid Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)CCC)C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC1=C(C(C(=C(N1)CCC)C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H25N3O6/c1-3-6-16-19(21(26)27)18(14-8-10-15(11-9-14)25(29)30)20(17(24-16)7-4-2)22(28)31-13-5-12-23/h8-11,18,24H,3-7,13H2,1-2H3,(H,26,27)