2-[2-bromanyl-4-[(Z)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-[(Z)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-6-methoxy-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-6-methoxyphenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[(Z)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-6-methoxy-phenoxy]acetic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)Br)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NCCC2=CC=CC=C2)Br)OCC(=O)O

InChI

InChI=1S/C21H19BrN2O5/c1-28-18-11-15(10-17(22)20(18)29-13-19(25)26)9-16(12-23)21(27)24-8-7-14-5-3-2-4-6-14/h2-6,9-11H,7-8,13H2,1H3,(H,24,27)(H,25,26)/b16-9-