tert-butyl 6-(2-chloroethyloxymethoxy)-5-ethanoyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl 6-(2-chloroethyloxymethoxy)-5-ethanoyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 5-acetyl-6-(2-chloroethoxymethoxy)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-6-(2-chloroethoxymethoxy)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-acetyl-6-(2-chloroethoxymethoxy)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-6-(2-chloroethoxymethoxy)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C22H27ClN2O7 MolecularWeight: 466.91198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)OCOCCCl)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)OCOCCCl)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27ClN2O7/c1-13-17(21(27)32-22(3,4)5)19(15-7-6-8-16(11-15)25(28)29)18(14(2)26)20(24-13)31-12-30-10-9-23/h6-8,11,19,24H,9-10,12H2,1-5H3