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

Systemtic Name: 2-[[(Z)-2-cyano-3-pyridin-3-yl-prop-1-enyl]amino]propanedioic acid Openeye Name: 2-[[(Z)-2-cyano-3-(3-pyridyl)prop-1-enyl]amino]propanedioic acid CAS Name: 2-[[(Z)-2-cyano-3-(3-pyridinyl)prop-1-enyl]amino]propanedioic acid IUPAC Name: 2-[[(Z)-2-cyano-3-pyridin-3-ylprop-1-enyl]amino]propanedioic acid Traditional Name: 2-[[(Z)-2-cyano-3-(3-pyridyl)prop-1-enyl]amino]malonic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(=CNC(C(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CN=C1)C/C(=C/NC(C(=O)O)C(=O)O)/C#N

InChI

InChI=1S/C12H11N3O4/c13-5-9(4-8-2-1-3-14-6-8)7-15-10(11(16)17)12(18)19/h1-3,6-7,10,15H,4H2,(H,16,17)(H,18,19)/b9-7-