(E)-4-oxidanylidene-4-(1-pyridin-3-ylethylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(1-pyridin-3-ylethylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-[1-(3-pyridyl)ethylamino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[1-(3-pyridinyl)ethylamino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(1-pyridin-3-ylethylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-[1-(3-pyridyl)ethylamino]but-2-enoic acid Formula: C11H12N2O3 MolecularWeight: 220.22458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3/c1-8(9-3-2-6-12-7-9)13-10(14)4-5-11(15)16/h2-8H,1H3,(H,13,14)(H,15,16)/b5-4+