5-[5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[5-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-furyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-furanyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[5-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-furyl]isophthalic acid Formula: C18H13NO7 MolecularWeight: 355.29832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC(=C2)C(=O)O)C(=O)O)/C#N

InChI

InChI=1S/C18H13NO7/c1-2-25-18(24)13(9-19)8-14-3-4-15(26-14)10-5-11(16(20)21)7-12(6-10)17(22)23/h3-8H,2H2,1H3,(H,20,21)(H,22,23)/b13-8+