(E)-4-[(3,4-dimethylphenyl)methyl-methyl-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[(3,4-dimethylphenyl)methyl-methyl-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[(3,4-dimethylphenyl)methyl-methyl-amino]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[(3,4-dimethylphenyl)methyl-methylamino]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[(3,4-dimethylphenyl)methyl-methylamino]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[(3,4-dimethylbenzyl)-methyl-amino]-4-hydroxy-2-keto-but-3-enoic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN(C)C(=CC(=O)C(=O)O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN(C)/C(=C\C(=O)C(=O)O)/O)C

InChI

InChI=1S/C14H17NO4/c1-9-4-5-11(6-10(9)2)8-15(3)13(17)7-12(16)14(18)19/h4-7,17H,8H2,1-3H3,(H,18,19)/b13-7+