4-[[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]anilino]-4-keto-butyric acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O)O

Isomeric SMILES

CCO/C(=C(\C#N)/C(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O)/O

InChI

InChI=1S/C16H16N2O6/c1-2-24-16(23)12(9-17)15(22)10-3-5-11(6-4-10)18-13(19)7-8-14(20)21/h3-6,23H,2,7-8H2,1H3,(H,18,19)(H,20,21)/b16-12+