(2S,3S)-3-(1-oxidanidylpyridin-1-ium-2-yl)oxirane-2-carbonitrile

Systemtic Name: (2S,3S)-3-(1-oxidanidylpyridin-1-ium-2-yl)oxirane-2-carbonitrile Openeye Name: (2S,3S)-3-(1-oxidopyridin-1-ium-2-yl)oxirane-2-carbonitrile CAS Name: (2S,3S)-3-(1-oxido-2-pyridin-1-iumyl)-2-oxiranecarbonitrile IUPAC Name: (2S,3S)-3-(1-oxidopyridin-1-ium-2-yl)oxirane-2-carbonitrile Traditional Name: (2S,3S)-3-(1-oxidopyridin-1-ium-2-yl)oxirane-2-carbonitrile Formula: C8H6N2O2 MolecularWeight: 162.14544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C2C(O2)C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)[C@H]2[C@@H](O2)C#N)[O-]

InChI

InChI=1S/C8H6N2O2/c9-5-7-8(12-7)6-3-1-2-4-10(6)11/h1-4,7-8H/t7-,8-/m0/s1