O1-methyl O3-[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester O1-methyl ester Formula: C21H27NO8 MolecularWeight: 421.44098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO8/c1-12(2)17-6-5-13(3)7-18(17)30-19(23)11-29-21(25)15-8-14(20(24)28-4)9-16(10-15)22(26)27/h8-10,12-13,17-18H,5-7,11H2,1-4H3/t13-,17-,18+/m1/s1