2-[5-bromanyl-4-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-bromanyl-4-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[5-bromo-4-[(Z)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)O)OC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC(=C(C=C2Br)OCC(=O)O)OC)/C#N

InChI

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