2-[2-bromanyl-4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]-6-methoxy-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]-6-methoxy-phenoxy]acetic acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC(=O)O)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)OCC(=O)O)OC)/C#N

InChI

InChI=1S/C20H17BrN2O5/c1-12-3-5-15(6-4-12)23-20(26)14(10-22)7-13-8-16(21)19(17(9-13)27-2)28-11-18(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b14-7+