(E)-4-oxidanylidene-4-[[3-(propanoylamino)phenyl]amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[3-(propanoylamino)phenyl]amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-(propanoylamino)anilino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-(1-oxopropylamino)anilino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[3-(propanoylamino)anilino]but-2-enoic acid Traditional Name: (E)-4-keto-4-(3-propionamidoanilino)but-2-enoic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H14N2O4/c1-2-11(16)14-9-4-3-5-10(8-9)15-12(17)6-7-13(18)19/h3-8H,2H2,1H3,(H,14,16)(H,15,17)(H,18,19)/b7-6+