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

Systemtic Name: [(1R,3R)-3-methyl-2-oxidanylidene-3-pentyl-cyclopentyl] 4-nitrobenzoate Openeye Name: [(1R,3R)-3-methyl-2-oxo-3-pentyl-cyclopentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,3R)-3-methyl-2-oxo-3-pentylcyclopentyl] ester IUPAC Name: [(1R,3R)-3-methyl-2-oxo-3-pentylcyclopentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,3R)-3-amyl-2-keto-3-methyl-cyclopentyl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-3-4-5-11-18(2)12-10-15(16(18)20)24-17(21)13-6-8-14(9-7-13)19(22)23/h6-9,15H,3-5,10-12H2,1-2H3/t15-,18-/m1/s1