(4-nitrophenyl)methyl (E)-6-phenylhex-2-en-5-ynoate

Systemtic Name: (4-nitrophenyl)methyl (E)-6-phenylhex-2-en-5-ynoate Openeye Name: (4-nitrophenyl)methyl (E)-6-phenylhex-2-en-5-ynoate CAS Name: (E)-6-phenylhex-2-en-5-ynoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-6-phenylhex-2-en-5-ynoate Traditional Name: (E)-6-phenylhex-2-en-5-ynoic acid (4-nitrobenzyl) ester Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCC=CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC/C=C/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO4/c21-19(10-6-2-5-9-16-7-3-1-4-8-16)24-15-17-11-13-18(14-12-17)20(22)23/h1,3-4,6-8,10-14H,2,15H2/b10-6+