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

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylamino]propanenitrile Openeye Name: 3-[(3,4-dihydroxyphenyl)methylamino]propanenitrile CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylamino]propanenitrile Traditional Name: 3-(protocatechuylamino)propionitrile Formula: C10H12N2O2 MolecularWeight: 192.21448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNCCC#N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNCCC#N)O)O

InChI

InChI=1S/C10H12N2O2/c11-4-1-5-12-7-8-2-3-9(13)10(14)6-8/h2-3,6,12-14H,1,5,7H2