[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC

InChI

InChI=1S/C23H23BrN2O5/c1-13(2)17-10-18(24)14(3)7-20(17)30-12-22(27)31-19-6-5-15(9-21(19)29-4)8-16(11-25)23(26)28/h5-10,13H,12H2,1-4H3,(H2,26,28)/b16-8+