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

Systemtic Name: [(1S,2R)-2-(4-methoxyphenyl)-2-methyl-3-oxidanylidene-cyclopentyl] 4-nitrobenzoate Openeye Name: [(1S,2R)-2-(4-methoxyphenyl)-2-methyl-3-oxo-cyclopentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2R)-2-(4-methoxyphenyl)-2-methyl-3-oxocyclopentyl] ester IUPAC Name: [(1S,2R)-2-(4-methoxyphenyl)-2-methyl-3-oxocyclopentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2R)-3-keto-2-(4-methoxyphenyl)-2-methyl-cyclopentyl] ester Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@]1([C@H](CCC1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19NO6/c1-20(14-5-9-16(26-2)10-6-14)17(22)11-12-18(20)27-19(23)13-3-7-15(8-4-13)21(24)25/h3-10,18H,11-12H2,1-2H3/t18-,20-/m0/s1