4-[5-[2-cyano-3-[(2-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[2-cyano-3-[(2-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[2-cyano-3-(2-iodoanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 4-[5-[2-cyano-3-(2-iodoanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[2-cyano-3-(2-iodoanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[2-cyano-3-(2-iodoanilino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C21H13IN2O4 MolecularWeight: 484.24339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13IN2O4/c22-17-3-1-2-4-18(17)24-20(25)15(12-23)11-16-9-10-19(28-16)13-5-7-14(8-6-13)21(26)27/h1-11H,(H,24,25)(H,26,27)