O4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] O1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] butanedioate

Systemtic Name: O4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] O1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] butanedioate Openeye Name: O4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] O1-[2-(4-nitrophenyl)-2-oxo-ethyl] butanedioate CAS Name: butanedioic acid O4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester O1-[2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[2-(4-nitrophenyl)-2-oxoethyl] butanedioate Traditional Name: succinic acid O4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester O1-[2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C22H29NO7 MolecularWeight: 419.46816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H29NO7/c1-14(2)18-9-4-15(3)12-20(18)30-22(26)11-10-21(25)29-13-19(24)16-5-7-17(8-6-16)23(27)28/h5-8,14-15,18,20H,4,9-13H2,1-3H3/t15-,18+,20-/m0/s1