4-[(3,4-dimethoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3,4-dimethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(3,4-dimethoxyanilino)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyanilino)-4-oxobutanoate IUPAC Name: 4-(3,4-dimethoxyanilino)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyanilino)-4-keto-butyrate Formula: C12H14NO5- MolecularWeight: 252.24326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-17-9-4-3-8(7-10(9)18-2)13-11(14)5-6-12(15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,16)/p-1