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

Systemtic Name: 3-bromanyl-4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]benzenecarbonitrile Openeye Name: 3-bromo-4-[(4-hydroxy-3-methoxy-phenyl)methylamino]benzonitrile CAS Name: 3-bromo-4-[(4-hydroxy-3-methoxyphenyl)methylamino]benzonitrile IUPAC Name: 3-bromo-4-[(4-hydroxy-3-methoxyphenyl)methylamino]benzonitrile Traditional Name: 3-bromo-4-(vanillylamino)benzonitrile Formula: C15H13BrN2O2 MolecularWeight: 333.17992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)C#N)Br)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)C#N)Br)O

InChI

InChI=1S/C15H13BrN2O2/c1-20-15-7-11(3-5-14(15)19)9-18-13-4-2-10(8-17)6-12(13)16/h2-7,18-19H,9H2,1H3