2-[5-bromanyl-4-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-bromanyl-4-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-bromo-4-[(E)-2-cyano-3-(2-naphthylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-bromo-4-[(E)-2-cyano-3-(2-naphthalenylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[5-bromo-4-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[5-bromo-4-[(E)-2-cyano-3-keto-3-(2-naphthylamino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid Formula: C23H17BrN2O5 MolecularWeight: 481.29548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC3=CC=CC=C3C=C2)Br)OCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC3=CC=CC=C3C=C2)Br)OCC(=O)O

InChI

InChI=1S/C23H17BrN2O5/c1-30-20-10-16(19(24)11-21(20)31-13-22(27)28)8-17(12-25)23(29)26-18-7-6-14-4-2-3-5-15(14)9-18/h2-11H,13H2,1H3,(H,26,29)(H,27,28)/b17-8+