4-[[(E)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)-2-furyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-[5-(4-carbethoxyphenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C24H18N2O6 MolecularWeight: 430.40952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H18N2O6/c1-2-31-24(30)17-5-3-15(4-6-17)21-12-11-20(32-21)13-18(14-25)22(27)26-19-9-7-16(8-10-19)23(28)29/h3-13H,2H2,1H3,(H,26,27)(H,28,29)/b18-13+