[4-(1,3-dicyanopropan-2-yl)-2-(phenylcarbonyloxy)phenyl] benzoate

Systemtic Name: [4-(1,3-dicyanopropan-2-yl)-2-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: [2-benzoyloxy-4-[2-cyano-1-(cyanomethyl)ethyl]phenyl] benzoate CAS Name: benzoic acid [2-benzoyloxy-4-(1,3-dicyanopropan-2-yl)phenyl] ester IUPAC Name: [2-benzoyloxy-4-(1,3-dicyanopropan-2-yl)phenyl] benzoate Traditional Name: benzoic acid [2-benzoyloxy-4-[2-cyano-1-(cyanomethyl)ethyl]phenyl] ester Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CC#N)CC#N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CC#N)CC#N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H18N2O4/c26-15-13-18(14-16-27)21-11-12-22(30-24(28)19-7-3-1-4-8-19)23(17-21)31-25(29)20-9-5-2-6-10-20/h1-12,17-18H,13-14H2