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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4/c1-8(9-4-6-13-7-5-9)14-12(19)15-10(16)2-3-11(17)18/h2-8H,1H3,(H,17,18)(H2,14,15,16,19)/b3-2+