[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(5-chloranyl-2-nitro-phenyl)ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(5-chloranyl-2-nitro-phenyl)ethanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(5-chloro-2-nitro-phenyl)acetate CAS Name: 2-(5-chloro-2-nitrophenyl)acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(5-chloro-2-nitrophenyl)acetate Traditional Name: 2-(5-chloro-2-nitro-phenyl)acetic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H24ClNO4/c1-11(2)15-6-4-12(3)8-17(15)24-18(21)10-13-9-14(19)5-7-16(13)20(22)23/h5,7,9,11-12,15,17H,4,6,8,10H2,1-3H3/t12-,15+,17-/m1/s1