1-[6-(6-bromanylhexyl)-5-ethanoyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone

Systemtic Name: 1-[6-(6-bromanylhexyl)-5-ethanoyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone Openeye Name: 1-[5-acetyl-6-(6-bromohexyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone CAS Name: 1-[5-acetyl-6-(6-bromohexyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone IUPAC Name: 1-[5-acetyl-6-(6-bromohexyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone Traditional Name: 1-[5-acetyl-6-(6-bromohexyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4/c1-14-20(15(2)26)22(17-9-8-10-18(13-17)25(28)29)21(16(3)27)19(24-14)11-6-4-5-7-12-23/h8-10,13,22,24H,4-7,11-12H2,1-3H3