(E)-4-[(2,6-dimethoxyphenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(2,6-dimethoxyphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2,6-dimethoxyanilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2,6-dimethoxyanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2,6-dimethoxyanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2,6-dimethoxyanilino)-4-keto-but-2-enoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)NC(=O)C=CC(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H13NO5/c1-17-8-4-3-5-9(18-2)12(8)13-10(14)6-7-11(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b7-6+