(E)-4-(2,2-dimethoxyethylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(2,2-dimethoxyethylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2,2-dimethoxyethylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2,2-dimethoxyethylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2,2-dimethoxyethylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2,2-dimethoxyethylamino)-4-keto-but-2-enoic acid Formula: C8H13NO5 MolecularWeight: 203.19252

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C=CC(=O)O)OC

Isomeric SMILES

COC(CNC(=O)/C=C/C(=O)O)OC

InChI

InChI=1S/C8H13NO5/c1-13-8(14-2)5-9-6(10)3-4-7(11)12/h3-4,8H,5H2,1-2H3,(H,9,10)(H,11,12)/b4-3+