2-[4-[2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]-2-iodo-6-methoxy-phenoxy]acetate CAS Name: 2-[4-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenoxy]acetate IUPAC Name: 2-[4-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]-2-iodo-6-methoxy-phenoxy]acetate Formula: C20H16IN2O5- MolecularWeight: 491.25591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C(=C2)I)OCC(=O)[O-])OC)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C(=C2)I)OCC(=O)[O-])OC)C#N

InChI

InChI=1S/C20H17IN2O5/c1-12-5-3-4-6-16(12)23-20(26)14(10-22)7-13-8-15(21)19(17(9-13)27-2)28-11-18(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/p-1