bis(phenylmethyl) 2-[(6-oxidanylidene-3-phenyl-1H-pyridazin-4-yl)methylidene]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(6-oxidanylidene-3-phenyl-1H-pyridazin-4-yl)methylidene]propanedioate Openeye Name: dibenzyl 2-[(6-oxo-3-phenyl-1H-pyridazin-4-yl)methylene]propanedioate CAS Name: 2-[(6-oxo-3-phenyl-1H-pyridazin-4-yl)methylidene]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(6-oxo-3-phenyl-1H-pyridazin-4-yl)methylidene]propanedioate Traditional Name: 2-[(6-keto-3-phenyl-1H-pyridazin-4-yl)methylene]malonic acid dibenzyl ester Formula: C28H22N2O5 MolecularWeight: 466.48468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=CC2=CC(=O)NN=C2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=CC2=CC(=O)NN=C2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H22N2O5/c31-25-17-23(26(30-29-25)22-14-8-3-9-15-22)16-24(27(32)34-18-20-10-4-1-5-11-20)28(33)35-19-21-12-6-2-7-13-21/h1-17H,18-19H2,(H,29,31)