pent-1-yn-3-yl 4-nitrobenzoate

Systemtic Name: pent-1-yn-3-yl 4-nitrobenzoate Openeye Name: 1-ethylprop-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid pent-1-yn-3-yl ester IUPAC Name: pent-1-yn-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-ethylprop-2-ynyl ester Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(C#C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO4/c1-3-11(4-2)17-12(14)9-5-7-10(8-6-9)13(15)16/h1,5-8,11H,4H2,2H3