(E)-4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-cyanoethyl(3-pyridylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-cyanoethyl(3-pyridinylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-cyanoethyl(3-pyridylmethyl)amino]-4-keto-but-2-enoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3/c14-6-2-8-16(12(17)4-5-13(18)19)10-11-3-1-7-15-9-11/h1,3-5,7,9H,2,8,10H2,(H,18,19)/b5-4+