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

Systemtic Name: 4-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-bromanyl-benzenecarbonitrile Openeye Name: 3-bromo-4-[(3,4-dihydroxyphenyl)methylamino]benzonitrile CAS Name: 3-bromo-4-[(3,4-dihydroxyphenyl)methylamino]benzonitrile IUPAC Name: 3-bromo-4-[(3,4-dihydroxyphenyl)methylamino]benzonitrile Traditional Name: 3-bromo-4-(protocatechuylamino)benzonitrile Formula: C14H11BrN2O2 MolecularWeight: 319.15334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN2O2/c15-11-5-9(7-16)1-3-12(11)17-8-10-2-4-13(18)14(19)6-10/h1-6,17-19H,8H2