(4-nitrophenyl) tetradec-2-ynoate

Systemtic Name: (4-nitrophenyl) tetradec-2-ynoate Openeye Name: (4-nitrophenyl) tetradec-2-ynoate CAS Name: 2-tetradecynoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) tetradec-2-ynoate Traditional Name: tetradec-2-ynoic acid (4-nitrophenyl) ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC#CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C20H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-11H2,1H3