3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]propanenitrile

Systemtic Name: 3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]propanenitrile Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methylamino]propanenitrile CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]propanenitrile Traditional Name: 3-(vanillylamino)propionitrile Formula: C11H14N2O2 MolecularWeight: 206.24106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC#N)O

InChI

InChI=1S/C11H14N2O2/c1-15-11-7-9(3-4-10(11)14)8-13-6-2-5-12/h3-4,7,13-14H,2,6,8H2,1H3