(2E)-4-chloranyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile

Systemtic Name: (2E)-4-chloranyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: (2E)-2-[(benzylamino)-hydroxy-methylene]-4-chloro-3-oxo-butanenitrile CAS Name: (2E)-4-chloro-2-[hydroxy-[(phenylmethyl)amino]methylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[(benzylamino)-hydroxymethylidene]-4-chloro-3-oxobutanenitrile Traditional Name: (E)-3-(benzylamino)-2-(2-chloroacetyl)-3-hydroxy-acrylonitrile Formula: C12H11ClN2O2 MolecularWeight: 250.68094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CCl)O

Isomeric SMILES

C1=CC=C(C=C1)CN/C(=C(/C#N)\C(=O)CCl)/O

InChI

InChI=1S/C12H11ClN2O2/c13-6-11(16)10(7-14)12(17)15-8-9-4-2-1-3-5-9/h1-5,15,17H,6,8H2/b12-10+