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

Systemtic Name: (E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-(homoveratrylamino)-4-keto-but-2-enoic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)/C=C/C(=O)O)OC

InChI

InChI=1S/C14H17NO5/c1-19-11-4-3-10(9-12(11)20-2)7-8-15-13(16)5-6-14(17)18/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,17,18)/b6-5+