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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-9(2)14(20)16-11-5-3-4-10(8-11)15-12(17)6-7-13(18)19/h3-9H,1-2H3,(H,15,17)(H,16,20)(H,18,19)/b7-6+