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

Systemtic Name: (E)-4-[[4-methyl-3-(propanoylamino)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-methyl-3-(propanoylamino)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-methyl-3-(1-oxopropylamino)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-methyl-3-(propanoylamino)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(4-methyl-3-propionamido-anilino)but-2-enoic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-3-12(17)16-11-8-10(5-4-9(11)2)15-13(18)6-7-14(19)20/h4-8H,3H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/b7-6+