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

Systemtic Name: methyl 2-[2-bromanyl-4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]-6-methoxy-phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]-6-methoxy-phenoxy]acetic acid methyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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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)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O5/c1-13-4-6-16(7-5-13)24-21(26)15(11-23)8-14-9-17(22)20(18(10-14)27-2)29-12-19(25)28-3/h4-10H,12H2,1-3H3,(H,24,26)/b15-8+