4-[4-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]phenyl]benzonitrile CAS Name: 4-[4-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]phenyl]benzonitrile IUPAC Name: 4-[4-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]phenyl]benzonitrile Traditional Name: 4-[4-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]phenyl]benzonitrile Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)/O)/C#N

InChI

InChI=1S/C18H13N3O2/c1-12(22)17(11-20)18(23)21-16-8-6-15(7-9-16)14-4-2-13(10-19)3-5-14/h2-9,21,23H,1H3/b18-17+