2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-(2-hydroxy-3-piperonyloxy-propyl)-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(COCC2=CC3=C(C=C2)OCO3)O)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(COCC2=CC3=C(C=C2)OCO3)O)C#N

InChI

InChI=1S/C18H19N3O5/c1-11-12(2)20-21(18(23)15(11)6-19)7-14(22)9-24-8-13-3-4-16-17(5-13)26-10-25-16/h3-5,14,22H,7-10H2,1-2H3