phenacyl 4-cyanobenzoate

Systemtic Name: phenacyl 4-cyanobenzoate Openeye Name: phenacyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid phenacyl ester IUPAC Name: phenacyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid phenacyl ester Formula: C16H11NO3 MolecularWeight: 265.26344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H11NO3/c17-10-12-6-8-14(9-7-12)16(19)20-11-15(18)13-4-2-1-3-5-13/h1-9H,11H2