[(1R,2R)-2-hex-1-ynylcyclopentyl] 4-nitrobenzoate

Systemtic Name: [(1R,2R)-2-hex-1-ynylcyclopentyl] 4-nitrobenzoate Openeye Name: [(1R,2R)-2-hex-1-ynylcyclopentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-2-hex-1-ynylcyclopentyl] ester IUPAC Name: [(1R,2R)-2-hex-1-ynylcyclopentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2R)-2-hex-1-ynylcyclopentyl] ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1CCCC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-2-3-4-5-7-14-8-6-9-17(14)23-18(20)15-10-12-16(13-11-15)19(21)22/h10-14,17H,2-4,6,8-9H2,1H3/t14-,17+/m0/s1