methyl 2-[5-bromanyl-4-[(Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[5-bromanyl-4-[(Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[5-bromo-4-[(Z)-2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid methyl ester Formula: C21H19BrN2O6 MolecularWeight: 475.28936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)OC)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2Br)OCC(=O)OC)OC)/C#N

InChI

InChI=1S/C21H19BrN2O6/c1-27-16-6-4-15(5-7-16)24-21(26)14(11-23)8-13-9-18(28-2)19(10-17(13)22)30-12-20(25)29-3/h4-10H,12H2,1-3H3,(H,24,26)/b14-8-