[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methyl-pent-2-enyl] 4-nitrobenzoate

Systemtic Name: [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methyl-pent-2-enyl] 4-nitrobenzoate Openeye Name: [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methyl-pent-2-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-5-[(2R)-3,3-dimethyl-2-oxiranyl]-3-methylpent-2-enyl] ester IUPAC Name: [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methyl-pent-2-enyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CCC2C(O2)(C)C

Isomeric SMILES

C/C(=C\COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/CC[C@@H]2C(O2)(C)C

InChI

InChI=1S/C17H21NO5/c1-12(4-9-15-17(2,3)23-15)10-11-22-16(19)13-5-7-14(8-6-13)18(20)21/h5-8,10,15H,4,9,11H2,1-3H3/b12-10+/t15-/m1/s1