2-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-chloranyl-benzenecarbonitrile Openeye Name: 4-chloro-2-[(3,4-dihydroxyphenyl)methylamino]benzonitrile CAS Name: 4-chloro-2-[(3,4-dihydroxyphenyl)methylamino]benzonitrile IUPAC Name: 4-chloro-2-[(3,4-dihydroxyphenyl)methylamino]benzonitrile Traditional Name: 4-chloro-2-(protocatechuylamino)benzonitrile Formula: C14H11ClN2O2 MolecularWeight: 274.70234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=C(C=CC(=C2)Cl)C#N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNC2=C(C=CC(=C2)Cl)C#N)O)O

InChI

InChI=1S/C14H11ClN2O2/c15-11-3-2-10(7-16)12(6-11)17-8-9-1-4-13(18)14(19)5-9/h1-6,17-19H,8H2