4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-cyanoethyl(3-pyridylmethyl)amino]-4-oxo-butanoate CAS Name: 4-[2-cyanoethyl(3-pyridinylmethyl)amino]-4-oxobutanoate IUPAC Name: 4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxobutanoate Traditional Name: 4-[2-cyanoethyl(3-pyridylmethyl)amino]-4-keto-butyrate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c14-6-2-8-16(12(17)4-5-13(18)19)10-11-3-1-7-15-9-11/h1,3,7,9H,2,4-5,8,10H2,(H,18,19)/p-1