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

Systemtic Name: 5-(2-cyanoethoxycarbonyl)-2-ethyl-4-(4-nitrophenyl)-6-propyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-cyanoethoxycarbonyl)-2-ethyl-4-(4-nitrophenyl)-6-propyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[2-cyanoethoxy(oxo)methyl]-2-ethyl-4-(4-nitrophenyl)-6-propyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-cyanoethoxycarbonyl)-2-ethyl-4-(4-nitrophenyl)-6-propyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(2-cyanoethoxycarbonyl)-2-ethyl-4-(4-nitrophenyl)-6-propyl-1,4-dihydropyridine-3-carboxylic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-3-6-16-19(21(27)30-12-5-11-22)17(18(20(25)26)15(4-2)23-16)13-7-9-14(10-8-13)24(28)29/h7-10,17,23H,3-6,12H2,1-2H3,(H,25,26)