2-[5-bromanyl-4-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-bromanyl-4-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(Z)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-5-bromo-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-bromo-4-[(Z)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-5-bromo-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(Z)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-5-bromo-2-methoxy-phenoxy]acetic acid 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)NCC2=CC=CC=C2)Br)OCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(/C#N)\C(=O)NCC2=CC=CC=C2)Br)OCC(=O)O

InChI

InChI=1S/C20H17BrN2O5/c1-27-17-8-14(16(21)9-18(17)28-12-19(24)25)7-15(10-22)20(26)23-11-13-5-3-2-4-6-13/h2-9H,11-12H2,1H3,(H,23,26)(H,24,25)/b15-7-