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

Systemtic Name: tert-butyl 6-(4-chloranylbutyl)-5-ethanoyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 5-acetyl-6-(4-chlorobutyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-6-(4-chlorobutyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-acetyl-6-(4-chlorobutyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-6-(4-chlorobutyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C23H29ClN2O5 MolecularWeight: 448.93976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O5/c1-14-19(22(28)31-23(3,4)5)21(16-9-8-10-17(13-16)26(29)30)20(15(2)27)18(25-14)11-6-7-12-24/h8-10,13,21,25H,6-7,11-12H2,1-5H3