[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanyl-2-methyl-phenoxy)ethanoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanyl-2-methyl-phenoxy)ethanoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromo-2-methyl-phenoxy)acetate CAS Name: 2-(4-bromo-2-methylphenoxy)acetic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 2-(4-bromo-2-methylphenoxy)acetate Traditional Name: 2-(4-bromo-2-methyl-phenoxy)acetic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

InChI

InChI=1S/C23H21BrN2O5/c1-4-9-26-23(28)17(13-25)11-16-5-7-20(21(12-16)29-3)31-22(27)14-30-19-8-6-18(24)10-15(19)2/h4-8,10-12H,1,9,14H2,2-3H3,(H,26,28)