2-[4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-iodo-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-iodo-6-methoxy-phenoxy]acetic acid Formula: C18H15IN2O6 MolecularWeight: 482.22597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)I)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)I)OCC(=O)O

InChI

InChI=1S/C18H15IN2O6/c1-25-15-7-11(6-14(19)17(15)27-10-16(22)23)5-12(8-20)18(24)21-9-13-3-2-4-26-13/h2-7H,9-10H2,1H3,(H,21,24)(H,22,23)