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

Systemtic Name: [(1S,2R)-2-methyl-2-pentanoyl-cyclopentyl] 4-nitrobenzoate Openeye Name: [(1S,2R)-2-methyl-2-pentanoyl-cyclopentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2R)-2-methyl-2-(1-oxopentyl)cyclopentyl] ester IUPAC Name: [(1S,2R)-2-methyl-2-pentanoylcyclopentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2R)-2-methyl-2-valeryl-cyclopentyl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1(CCCC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-3-4-6-15(20)18(2)12-5-7-16(18)24-17(21)13-8-10-14(11-9-13)19(22)23/h8-11,16H,3-7,12H2,1-2H3/t16-,18-/m0/s1