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

Systemtic Name: 2-[5-bromanyl-4-[(Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[5-bromo-4-[(Z)-2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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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)O)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O6/c1-27-15-5-3-14(4-6-15)23-20(26)13(10-22)7-12-8-17(28-2)18(9-16(12)21)29-11-19(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b13-7-