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

Systemtic Name: (E)-4-[[4-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(3-methylbutanoylamino)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(3-methylbutanoylamino)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(isovalerylamino)anilino]-4-keto-but-2-enoic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-10(2)9-14(19)17-12-5-3-11(4-6-12)16-13(18)7-8-15(20)21/h3-8,10H,9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/b8-7+