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

Systemtic Name: 2-[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid CAS Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid IUPAC Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid Traditional Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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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)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O5/c1-2-27-18-9-13(6-7-17(18)28-12-19(24)25)8-14(11-22)20(26)23-16-5-3-4-15(21)10-16/h3-10H,2,12H2,1H3,(H,23,26)(H,24,25)