[(6-cyanopyridazin-4-yl)-phenyl-methyl] benzoate

Systemtic Name: [(6-cyanopyridazin-4-yl)-phenyl-methyl] benzoate Openeye Name: [(6-cyanopyridazin-4-yl)-phenyl-methyl] benzoate CAS Name: benzoic acid [(6-cyano-4-pyridazinyl)-phenylmethyl] ester IUPAC Name: [(6-cyanopyridazin-4-yl)-phenylmethyl] benzoate Traditional Name: benzoic acid [(6-cyanopyridazin-4-yl)-phenyl-methyl] ester Formula: C19H13N3O2 MolecularWeight: 315.32542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O2/c20-12-17-11-16(13-21-22-17)18(14-7-3-1-4-8-14)24-19(23)15-9-5-2-6-10-15/h1-11,13,18H