(2S)-2-azanyl-2-[3,4-bis(oxidanyl)phenyl]ethanenitrile

Systemtic Name: (2S)-2-azanyl-2-[3,4-bis(oxidanyl)phenyl]ethanenitrile Openeye Name: (2S)-2-amino-2-(3,4-dihydroxyphenyl)acetonitrile CAS Name: (2S)-2-amino-2-(3,4-dihydroxyphenyl)acetonitrile IUPAC Name: (2S)-2-amino-2-(3,4-dihydroxyphenyl)acetonitrile Traditional Name: (2S)-2-amino-2-(3,4-dihydroxyphenyl)acetonitrile Formula: C8H8N2O2 MolecularWeight: 164.16132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C#N)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1[C@@H](C#N)N)O)O

InChI

InChI=1S/C8H8N2O2/c9-4-6(10)5-1-2-7(11)8(12)3-5/h1-3,6,11-12H,10H2/t6-/m1/s1