methyl 2-[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetic acid methyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)OCC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)OCC(=O)OC

InChI

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