ditert-butyl 2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]methylidene]propanedioate

Systemtic Name: ditert-butyl 2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]methylidene]propanedioate Openeye Name: ditert-butyl 2-[(1-benzyl-6-oxo-pyridazin-4-yl)methylene]propanedioate CAS Name: 2-[[6-oxo-1-(phenylmethyl)-4-pyridazinyl]methylidene]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(1-benzyl-6-oxopyridazin-4-yl)methylidene]propanedioate Traditional Name: 2-[(1-benzyl-6-keto-pyridazin-4-yl)methylene]malonic acid ditert-butyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CC1=CC(=O)N(N=C1)CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(=CC1=CC(=O)N(N=C1)CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O5/c1-22(2,3)29-20(27)18(21(28)30-23(4,5)6)12-17-13-19(26)25(24-14-17)15-16-10-8-7-9-11-16/h7-14H,15H2,1-6H3