2-[2-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C22H19N3O5/c1-29-18-9-7-14(13-19(18)30-2)17-8-10-20(26)25(23-17)12-11-24-21(27)15-5-3-4-6-16(15)22(24)28/h3-10,13H,11-12H2,1-2H3