2-[2,4-bis(oxidanyl)phenyl]-2-(6-chloranyl-3-nitro-pyridin-2-yl)ethanenitrile

Systemtic Name: 2-[2,4-bis(oxidanyl)phenyl]-2-(6-chloranyl-3-nitro-pyridin-2-yl)ethanenitrile Openeye Name: 2-(6-chloro-3-nitro-2-pyridyl)-2-(2,4-dihydroxyphenyl)acetonitrile CAS Name: 2-(6-chloro-3-nitro-2-pyridinyl)-2-(2,4-dihydroxyphenyl)acetonitrile IUPAC Name: 2-(6-chloro-3-nitropyridin-2-yl)-2-(2,4-dihydroxyphenyl)acetonitrile Traditional Name: 2-(6-chloro-3-nitro-2-pyridyl)-2-(2,4-dihydroxyphenyl)acetonitrile Formula: C13H8ClN3O4 MolecularWeight: 305.67332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)O)C(C#N)C2=C(C=CC(=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1O)O)C(C#N)C2=C(C=CC(=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClN3O4/c14-12-4-3-10(17(20)21)13(16-12)9(6-15)8-2-1-7(18)5-11(8)19/h1-5,9,18-19H