2-[[(Z)-2-cyano-3-pyridin-2-yl-prop-1-enyl]amino]propanedioate

Systemtic Name: 2-[[(Z)-2-cyano-3-pyridin-2-yl-prop-1-enyl]amino]propanedioate Openeye Name: 2-[[(Z)-2-cyano-3-(2-pyridyl)prop-1-enyl]amino]propanedioate CAS Name: 2-[[(Z)-2-cyano-3-(2-pyridinyl)prop-1-enyl]amino]propanedioate IUPAC Name: 2-[[(Z)-2-cyano-3-pyridin-2-ylprop-1-enyl]amino]propanedioate Traditional Name: 2-[[(Z)-2-cyano-3-(2-pyridyl)prop-1-enyl]amino]malonate Formula: C12H9N3O4-2 MolecularWeight: 259.21756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC(=CNC(C(=O)[O-])C(=O)[O-])C#N

Isomeric SMILES

C1=CC=NC(=C1)C/C(=C/NC(C(=O)[O-])C(=O)[O-])/C#N

InChI

InChI=1S/C12H11N3O4/c13-6-8(5-9-3-1-2-4-14-9)7-15-10(11(16)17)12(18)19/h1-4,7,10,15H,5H2,(H,16,17)(H,18,19)/p-2/b8-7-