3-(4-methoxy-3-oxidanylidene-1,2-diazinan-1-yl)benzenecarbonitrile

Systemtic Name: 3-(4-methoxy-3-oxidanylidene-1,2-diazinan-1-yl)benzenecarbonitrile Openeye Name: 3-(4-methoxy-3-oxo-hexahydropyridazin-1-yl)benzonitrile CAS Name: 3-(4-methoxy-3-oxo-1-diazinanyl)benzonitrile IUPAC Name: 3-(4-methoxy-3-oxodiazinan-1-yl)benzonitrile Traditional Name: 3-(3-keto-4-methoxy-hexahydropyridazin-1-yl)benzonitrile Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(NC1=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

COC1CCN(NC1=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H13N3O2/c1-17-11-5-6-15(14-12(11)16)10-4-2-3-9(7-10)8-13/h2-4,7,11H,5-6H2,1H3,(H,14,16)