[1-(2-bromoethyl)-3-methyl-5-propan-2-yl-cyclohexyl] [5-carboxyoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] carbonate

Systemtic Name: [1-(2-bromoethyl)-3-methyl-5-propan-2-yl-cyclohexyl] [5-carboxyoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] carbonate Openeye Name: [1-(2-bromoethyl)-3-isopropyl-5-methyl-cyclohexyl] [5-carboxyoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] carbonate CAS Name: carbonic acid [1-(2-bromoethyl)-3-methyl-5-propan-2-ylcyclohexyl] [5-carboxyoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] ester IUPAC Name: [1-(2-bromoethyl)-3-methyl-5-propan-2-ylcyclohexyl] [5-carboxyoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] carbonate Traditional Name: carbonic acid [1-(2-bromoethyl)-3-isopropyl-5-methyl-cyclohexyl] [5-carboxyoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] ester Formula: C27H35BrN2O8 MolecularWeight: 595.4794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(CCBr)OC(=O)OC2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)O)C)C)C(C)C

Isomeric SMILES

CC1CC(CC(C1)(CCBr)OC(=O)OC2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)O)C)C)C(C)C

InChI

InChI=1S/C27H35BrN2O8/c1-15(2)20-11-16(3)13-27(14-20,9-10-28)38-26(33)37-24-18(5)29-17(4)23(36-25(31)32)22(24)19-7-6-8-21(12-19)30(34)35/h6-8,12,15-16,20,22,29H,9-11,13-14H2,1-5H3,(H,31,32)