undec-1-yn-3-yl 4-nitrobenzoate

Systemtic Name: undec-1-yn-3-yl 4-nitrobenzoate Openeye Name: 1-ethynylnonyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid undec-1-yn-3-yl ester IUPAC Name: undec-1-yn-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-octylprop-2-ynyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/c1-3-5-6-7-8-9-10-17(4-2)23-18(20)15-11-13-16(14-12-15)19(21)22/h2,11-14,17H,3,5-10H2,1H3