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

Systemtic Name: methyl 2-[5-bromanyl-4-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-2-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[(Z)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-5-bromo-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-5-bromo-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-5-bromo-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[(Z)-3-anilino-2-cyano-3-keto-prop-1-enyl]-5-bromo-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=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)OCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O5/c1-26-17-9-13(16(21)10-18(17)28-12-19(24)27-2)8-14(11-22)20(25)23-15-6-4-3-5-7-15/h3-10H,12H2,1-2H3,(H,23,25)/b14-8-