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

Systemtic Name: 2-[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-chloranyl-6-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-chloro-6-ethoxy-phenoxy]acetic acid CAS Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-ethoxyphenoxy]acetic acid IUPAC Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-ethoxyphenoxy]acetic acid Traditional Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-chloro-6-ethoxy-phenoxy]acetic acid Formula: C20H16BrClN2O5 MolecularWeight: 479.70844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)Cl)OCC(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)Cl)OCC(=O)O

InChI

InChI=1S/C20H16BrClN2O5/c1-2-28-17-8-12(7-16(22)19(17)29-11-18(25)26)6-13(10-23)20(27)24-15-5-3-4-14(21)9-15/h3-9H,2,11H2,1H3,(H,24,27)(H,25,26)