2-[(E)-2-benzamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-(4-chlorophenyl)furan-3-carboxylic acid

Systemtic Name: 2-[(E)-2-benzamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-(4-chlorophenyl)furan-3-carboxylic acid Openeye Name: 2-[(E)-2-benzamido-3-hydroxy-3-oxo-prop-1-enyl]-5-(4-chlorophenyl)furan-3-carboxylic acid CAS Name: 2-[(E)-2-benzamido-3-hydroxy-3-oxoprop-1-enyl]-5-(4-chlorophenyl)-3-furancarboxylic acid IUPAC Name: 2-[(E)-2-benzamido-3-hydroxy-3-oxoprop-1-enyl]-5-(4-chlorophenyl)furan-3-carboxylic acid Traditional Name: 2-[(E)-2-benzamido-3-hydroxy-3-keto-prop-1-enyl]-5-(4-chlorophenyl)-3-furoic acid Formula: C21H14ClNO6 MolecularWeight: 411.79196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClNO6/c22-14-8-6-12(7-9-14)17-10-15(20(25)26)18(29-17)11-16(21(27)28)23-19(24)13-4-2-1-3-5-13/h1-11H,(H,23,24)(H,25,26)(H,27,28)/b16-11+