(E)-3-[3-chloranyl-4,5-bis(oxidanyl)phenyl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-chloranyl-4,5-bis(oxidanyl)phenyl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4,5-dihydroxy-phenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-4,5-dihydroxyphenyl)-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-4,5-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4,5-dihydroxy-phenyl)-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C14H13ClN2O3 MolecularWeight: 292.71762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=CC2=CC(=C(C(=C2)Cl)O)O)C#N

Isomeric SMILES

C1CCN(C1)C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)O)O)/C#N

InChI

InChI=1S/C14H13ClN2O3/c15-11-6-9(7-12(18)13(11)19)5-10(8-16)14(20)17-3-1-2-4-17/h5-7,18-19H,1-4H2/b10-5+