[(1R,2S,3S)-3-(4-chloranylbutyl)-2-cyano-cyclopentyl] 4-nitrobenzoate

Systemtic Name: [(1R,2S,3S)-3-(4-chloranylbutyl)-2-cyano-cyclopentyl] 4-nitrobenzoate Openeye Name: [(1R,2S,3S)-3-(4-chlorobutyl)-2-cyano-cyclopentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2S,3S)-3-(4-chlorobutyl)-2-cyanocyclopentyl] ester IUPAC Name: [(1R,2S,3S)-3-(4-chlorobutyl)-2-cyanocyclopentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2S,3S)-3-(4-chlorobutyl)-2-cyano-cyclopentyl] ester Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CCCCCl)C#N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H]([C@@H]([C@H]1CCCCCl)C#N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN2O4/c18-10-2-1-3-12-6-9-16(15(12)11-19)24-17(21)13-4-7-14(8-5-13)20(22)23/h4-5,7-8,12,15-16H,1-3,6,9-10H2/t12-,15+,16+/m0/s1