butane; [(E)-1-cyano-2-pyridin-2-yl-ethenyl]phosphonic acid

Systemtic Name: butane; [(E)-1-cyano-2-pyridin-2-yl-ethenyl]phosphonic acid Openeye Name: butane; [(E)-1-cyano-2-(2-pyridyl)vinyl]phosphonic acid CAS Name: butane; [(E)-1-cyano-2-(2-pyridinyl)ethenyl]phosphonic acid IUPAC Name: butane; [(E)-1-cyano-2-pyridin-2-ylethenyl]phosphonic acid Traditional Name: [(E)-1-cyano-2-(2-pyridyl)vinyl]phosphonic acid; n-butane Formula: C12H17N2O3P MolecularWeight: 268.248741

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=NC(=C1)C=C(C#N)P(=O)(O)O

Isomeric SMILES

CCCC.C1=CC=NC(=C1)/C=C(\C#N)/P(=O)(O)O

InChI

InChI=1S/C8H7N2O3P.C4H10/c9-6-8(14(11,12)13)5-7-3-1-2-4-10-7;1-3-4-2/h1-5H,(H2,11,12,13);3-4H2,1-2H3/b8-5+;