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

Systemtic Name: (E)-4-oxidanylidene-4-(1-pyridin-2-ylethylcarbamoylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-[1-(2-pyridyl)ethylcarbamoylamino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[[oxo-[1-(2-pyridinyl)ethylamino]methyl]amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(1-pyridin-2-ylethylcarbamoylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-[1-(2-pyridyl)ethylcarbamoylamino]but-2-enoic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H13N3O4/c1-8(9-4-2-3-7-13-9)14-12(19)15-10(16)5-6-11(17)18/h2-8H,1H3,(H,17,18)(H2,14,15,16,19)/b6-5+