dimethyl 4-[(E)-2-(4,5-diphenylpyridin-2-yl)ethenyl]pyridazine-3,6-dicarboxylate

Systemtic Name: dimethyl 4-[(E)-2-(4,5-diphenylpyridin-2-yl)ethenyl]pyridazine-3,6-dicarboxylate Openeye Name: dimethyl 4-[(E)-2-(4,5-diphenyl-2-pyridyl)vinyl]pyridazine-3,6-dicarboxylate CAS Name: 4-[(E)-2-(4,5-diphenyl-2-pyridinyl)ethenyl]pyridazine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[(E)-2-(4,5-diphenylpyridin-2-yl)ethenyl]pyridazine-3,6-dicarboxylate Traditional Name: 4-[(E)-2-(4,5-diphenyl-2-pyridyl)vinyl]pyridazine-3,6-dicarboxylic acid dimethyl ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN=C(C(=C1)C=CC2=NC=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=NN=C(C(=C1)/C=C/C2=NC=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H21N3O4/c1-33-26(31)24-15-20(25(30-29-24)27(32)34-2)13-14-21-16-22(18-9-5-3-6-10-18)23(17-28-21)19-11-7-4-8-12-19/h3-17H,1-2H3/b14-13+