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

Systemtic Name: 2-[2-bromanyl-4-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(E)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-6-methoxy-phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-6-methoxy-phenoxy]acetate Formula: C20H16BrN2O5- MolecularWeight: 444.25544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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