[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-3-bromanyl-2-[(4-nitrophenyl)-oxidanyl-methyl]prop-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-3-bromanyl-2-[(4-nitrophenyl)-oxidanyl-methyl]prop-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (Z)-3-bromo-2-[hydroxy-(4-nitrophenyl)methyl]prop-2-enoate CAS Name: (Z)-3-bromo-2-[hydroxy-(4-nitrophenyl)methyl]-2-propenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-3-bromo-2-[hydroxy-(4-nitrophenyl)methyl]prop-2-enoate Traditional Name: (Z)-3-bromo-2-[hydroxy-(4-nitrophenyl)methyl]acrylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H26BrNO5 MolecularWeight: 440.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CBr)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C(=C\Br)/C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(C)C

InChI

InChI=1S/C20H26BrNO5/c1-12(2)16-9-4-13(3)10-18(16)27-20(24)17(11-21)19(23)14-5-7-15(8-6-14)22(25)26/h5-8,11-13,16,18-19,23H,4,9-10H2,1-3H3/b17-11-/t13-,16+,18-,19?/m1/s1