methyl 2-[2-bromanyl-4-[(Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-bromanyl-4-[(Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-bromo-4-[(Z)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(Z)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-bromo-4-[(Z)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(Z)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]phenoxy]acetic acid methyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4/c1-13-3-6-16(7-4-13)23-20(25)15(11-22)9-14-5-8-18(17(21)10-14)27-12-19(24)26-2/h3-10H,12H2,1-2H3,(H,23,25)/b15-9-