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

Systemtic Name: 4-[[(E)-2-cyano-3-[5-(2-methoxycarbonylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[5-(2-methoxycarbonylphenyl)-2-furyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[5-(2-methoxycarbonylphenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[5-(2-methoxycarbonylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-[5-(2-carbomethoxyphenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C23H16N2O6 MolecularWeight: 416.38294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H16N2O6/c1-30-23(29)19-5-3-2-4-18(19)20-11-10-17(31-20)12-15(13-24)21(26)25-16-8-6-14(7-9-16)22(27)28/h2-12H,1H3,(H,25,26)(H,27,28)/b15-12+