[(1S,3R)-3-methyl-2-oxidanylidene-cyclopentyl] 4-nitrobenzoate

Systemtic Name: [(1S,3R)-3-methyl-2-oxidanylidene-cyclopentyl] 4-nitrobenzoate Openeye Name: [(1S,3R)-3-methyl-2-oxo-cyclopentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,3R)-3-methyl-2-oxocyclopentyl] ester IUPAC Name: [(1S,3R)-3-methyl-2-oxocyclopentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,3R)-2-keto-3-methyl-cyclopentyl] ester Formula: C13H13NO5 MolecularWeight: 263.24602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-8-2-7-11(12(8)15)19-13(16)9-3-5-10(6-4-9)14(17)18/h3-6,8,11H,2,7H2,1H3/t8-,11+/m1/s1