(E)-4-[(3,4-dimethoxyphenyl)amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[(3,4-dimethoxyphenyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-(3,4-dimethoxyanilino)-4-oxo-but-2-enoate CAS Name: (E)-4-(3,4-dimethoxyanilino)-4-oxo-2-butenoate IUPAC Name: (E)-4-(3,4-dimethoxyanilino)-4-oxobut-2-enoate Traditional Name: (E)-4-(3,4-dimethoxyanilino)-4-keto-but-2-enoate Formula: C12H12NO5- MolecularWeight: 250.22738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C=CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C=C/C(=O)[O-])OC

InChI

InChI=1S/C12H13NO5/c1-17-9-4-3-8(7-10(9)18-2)13-11(14)5-6-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/p-1/b6-5+