(E)-4-[(3,5-dimethoxyphenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3,5-dimethoxyphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(3,5-dimethoxyanilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(3,5-dimethoxyanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(3,5-dimethoxyanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(3,5-dimethoxyanilino)-4-keto-but-2-enoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-17-9-5-8(6-10(7-9)18-2)13-11(14)3-4-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b4-3+