5-[5-[3-[(3-carboxyphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[5-[3-[(3-carboxyphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-[3-(3-carboxyanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-2-chloro-benzoic acid CAS Name: 5-[5-[3-(3-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-[3-(3-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoic acid Traditional Name: 5-[5-[3-(3-carboxyanilino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-chloro-benzoic acid Formula: C22H13ClN2O6 MolecularWeight: 436.80142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13ClN2O6/c23-18-6-4-12(10-17(18)22(29)30)19-7-5-16(31-19)9-14(11-24)20(26)25-15-3-1-2-13(8-15)21(27)28/h1-10H,(H,25,26)(H,27,28)(H,29,30)