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

Systemtic Name: 2-[[(E)-3-[5-(4-carboxyphenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[5-(4-carboxyphenyl)-2-furyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-[5-(4-carboxyphenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-[5-(4-carboxyphenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-[5-(4-carboxyphenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C22H14N2O6/c23-12-15(20(25)24-18-4-2-1-3-17(18)22(28)29)11-16-9-10-19(30-16)13-5-7-14(8-6-13)21(26)27/h1-11H,(H,24,25)(H,26,27)(H,28,29)/b15-11+