2-[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-chloranyl-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-chloranyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-chloro-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-chloro-6-methoxy-phenoxy]acetic acid Formula: C19H14BrClN2O5 MolecularWeight: 465.68186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)Cl)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)Cl)OCC(=O)O

InChI

InChI=1S/C19H14BrClN2O5/c1-27-16-7-11(6-15(21)18(16)28-10-17(24)25)5-12(9-22)19(26)23-14-4-2-3-13(20)8-14/h2-8H,10H2,1H3,(H,23,26)(H,24,25)