[(E)-[6-cyano-3-methyl-1-(phenylcarbonyl)pyridazin-4-ylidene]-phenyl-methyl] benzoate

Systemtic Name: [(E)-[6-cyano-3-methyl-1-(phenylcarbonyl)pyridazin-4-ylidene]-phenyl-methyl] benzoate Openeye Name: [(E)-(1-benzoyl-6-cyano-3-methyl-pyridazin-4-ylidene)-phenyl-methyl] benzoate CAS Name: benzoic acid [(E)-(1-benzoyl-6-cyano-3-methyl-4-pyridazinylidene)-phenylmethyl] ester IUPAC Name: [(E)-(1-benzoyl-6-cyano-3-methylpyridazin-4-ylidene)-phenylmethyl] benzoate Traditional Name: benzoic acid [(E)-(1-benzoyl-6-cyano-3-methyl-pyridazin-4-ylidene)-phenyl-methyl] ester Formula: C27H19N3O3 MolecularWeight: 433.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=CC1=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=C/C1=C(/C2=CC=CC=C2)\OC(=O)C3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H19N3O3/c1-19-24(17-23(18-28)30(29-19)26(31)21-13-7-3-8-14-21)25(20-11-5-2-6-12-20)33-27(32)22-15-9-4-10-16-22/h2-17H,1H3/b25-24+