4-cyano-4-pyridin-3-yl-heptanedioate

Systemtic Name: 4-cyano-4-pyridin-3-yl-heptanedioate Openeye Name: 4-cyano-4-(3-pyridyl)heptanedioate CAS Name: 4-cyano-4-(3-pyridinyl)heptanedioate IUPAC Name: 4-cyano-4-pyridin-3-ylheptanedioate Traditional Name: 4-cyano-4-(3-pyridyl)pimelate Formula: C13H12N2O4-2 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCC(=O)[O-])(CCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CN=C1)C(CCC(=O)[O-])(CCC(=O)[O-])C#N

InChI

InChI=1S/C13H14N2O4/c14-9-13(5-3-11(16)17,6-4-12(18)19)10-2-1-7-15-8-10/h1-2,7-8H,3-6H2,(H,16,17)(H,18,19)/p-2