ethyl 2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]acetate CAS Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-4-bromophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromophenoxy]acetate Traditional Name: 2-[2-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]acetic acid ethyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

InChI

InChI=1S/C22H23BrN2O5/c1-4-28-18(27)11-29-16-6-5-12(23)7-13(16)19-14(10-24)21(25)30-17-9-22(2,3)8-15(26)20(17)19/h5-7,19H,4,8-9,11,25H2,1-3H3