[(2R,3S)-3-cyclohexyl-2,3-dimethyl-oxiran-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2R,3S)-3-cyclohexyl-2,3-dimethyl-oxiran-2-yl]methyl 4-nitrobenzoate Openeye Name: [(2R,3S)-3-cyclohexyl-2,3-dimethyl-oxiran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3S)-3-cyclohexyl-2,3-dimethyl-2-oxiranyl]methyl ester IUPAC Name: [(2R,3S)-3-cyclohexyl-2,3-dimethyloxiran-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3S)-3-cyclohexyl-2,3-dimethyl-oxiran-2-yl]methyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)(C)C2CCCCC2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@]1([C@](O1)(C)C2CCCCC2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23NO5/c1-17(18(2,24-17)14-6-4-3-5-7-14)12-23-16(20)13-8-10-15(11-9-13)19(21)22/h8-11,14H,3-7,12H2,1-2H3/t17-,18+/m1/s1