2-[4-(2-chloranyl-3,4-dimethoxy-phenyl)-3-cyano-6-oxidanylidene-piperidin-2-ylidene]propanedinitrile

Systemtic Name: 2-[4-(2-chloranyl-3,4-dimethoxy-phenyl)-3-cyano-6-oxidanylidene-piperidin-2-ylidene]propanedinitrile Openeye Name: 2-[4-(2-chloro-3,4-dimethoxy-phenyl)-3-cyano-6-oxo-2-piperidylidene]propanedinitrile CAS Name: 2-[4-(2-chloro-3,4-dimethoxyphenyl)-3-cyano-6-oxo-2-piperidinylidene]propanedinitrile IUPAC Name: 2-[4-(2-chloro-3,4-dimethoxyphenyl)-3-cyano-6-oxopiperidin-2-ylidene]propanedinitrile Traditional Name: 2-[4-(2-chloro-3,4-dimethoxy-phenyl)-3-cyano-6-keto-2-piperidylidene]malononitrile Formula: C17H13ClN4O3 MolecularWeight: 356.76312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(=O)NC(=C(C#N)C#N)C2C#N)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2CC(=O)NC(=C(C#N)C#N)C2C#N)Cl)OC

InChI

InChI=1S/C17H13ClN4O3/c1-24-13-4-3-10(15(18)17(13)25-2)11-5-14(23)22-16(12(11)8-21)9(6-19)7-20/h3-4,11-12H,5H2,1-2H3,(H,22,23)