(E)-4-oxidanylidene-4-[3-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]butylamino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[3-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]butylamino]but-2-enoic acid Openeye Name: (E)-4-[3-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]butylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]butylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]butylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]butylamino]-4-keto-but-2-enoic acid Formula: C12H16N2O6 MolecularWeight: 284.26524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6/c1-8(14-10(16)3-5-12(19)20)6-7-13-9(15)2-4-11(17)18/h2-5,8H,6-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H,19,20)/b4-2+,5-3+