(E)-2-cyano-5-ethoxy-4-ethoxycarbonyl-3-methyl-5-oxidanylidene-4-phenyl-pent-2-enoic acid

Systemtic Name: (E)-2-cyano-5-ethoxy-4-ethoxycarbonyl-3-methyl-5-oxidanylidene-4-phenyl-pent-2-enoic acid Openeye Name: (E)-2-cyano-5-ethoxy-4-ethoxycarbonyl-3-methyl-5-oxo-4-phenyl-pent-2-enoic acid CAS Name: (E)-2-cyano-5-ethoxy-4-ethoxycarbonyl-3-methyl-5-oxo-4-phenyl-2-pentenoic acid IUPAC Name: (E)-2-cyano-5-ethoxy-4-ethoxycarbonyl-3-methyl-5-oxo-4-phenylpent-2-enoic acid Traditional Name: (E)-4-carbethoxy-2-cyano-5-ethoxy-5-keto-3-methyl-4-phenyl-pent-2-enoic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)(C(=C(C#N)C(=O)O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)(/C(=C(\C#N)/C(=O)O)/C)C(=O)OCC

InChI

InChI=1S/C18H19NO6/c1-4-24-16(22)18(17(23)25-5-2,13-9-7-6-8-10-13)12(3)14(11-19)15(20)21/h6-10H,4-5H2,1-3H3,(H,20,21)/b14-12+