3-(3,3-dimethyl-2-oxidanylidene-1-pyrrol-1-yl-butoxy)pyridine-2-carbonitrile

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-1-pyrrol-1-yl-butoxy)pyridine-2-carbonitrile Openeye Name: 3-(3,3-dimethyl-2-oxo-1-pyrrol-1-yl-butoxy)pyridine-2-carbonitrile CAS Name: 3-[3,3-dimethyl-2-oxo-1-(1-pyrrolyl)butoxy]-2-pyridinecarbonitrile IUPAC Name: 3-(3,3-dimethyl-2-oxo-1-pyrrol-1-ylbutoxy)pyridine-2-carbonitrile Traditional Name: 3-(2-keto-3,3-dimethyl-1-pyrrol-1-yl-butoxy)picolinonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C=CC=C1)OC2=C(N=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(N1C=CC=C1)OC2=C(N=CC=C2)C#N

InChI

InChI=1S/C16H17N3O2/c1-16(2,3)14(20)15(19-9-4-5-10-19)21-13-7-6-8-18-12(13)11-17/h4-10,15H,1-3H3