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

Systemtic Name: 2-[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-prop-2-enyl-phenoxy]ethanoic acid Openeye Name: 2-[2-allyl-4-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-6-ethoxy-phenoxy]acetic acid CAS Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-prop-2-enylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-prop-2-enylphenoxy]acetic acid Traditional Name: 2-[2-allyl-4-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-6-ethoxy-phenoxy]acetic acid Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC(=O)O)CC=C)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC(=O)O)CC=C)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C23H21BrN2O5/c1-3-6-16-9-15(11-20(30-4-2)22(16)31-14-21(27)28)10-17(13-25)23(29)26-19-8-5-7-18(24)12-19/h3,5,7-12H,1,4,6,14H2,2H3,(H,26,29)(H,27,28)