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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@]1(CC[C@H](C1=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)12-11-17(18(20)22)27-19(23)13-3-7-15(8-4-13)21(24)25/h3-10,17H,11-12H2,1-2H3/t17-,20+/m1/s1