(1-ethynylcyclohexyl) 4-nitrobenzoate

Systemtic Name: (1-ethynylcyclohexyl) 4-nitrobenzoate Openeye Name: (1-ethynylcyclohexyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-ethynylcyclohexyl) ester IUPAC Name: (1-ethynylcyclohexyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-ethynylcyclohexyl) ester Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CC1(CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO4/c1-2-15(10-4-3-5-11-15)20-14(17)12-6-8-13(9-7-12)16(18)19/h1,6-9H,3-5,10-11H2