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

Systemtic Name: ethyl 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-bromanyl-6-methoxy-phenoxy]ethanoate Openeye Name: ethyl 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-bromo-6-methoxy-phenoxy]acetate CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-bromo-6-methoxyphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-bromo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-bromo-6-methoxy-phenoxy]acetic acid ethyl ester Formula: C23H25BrN2O6 MolecularWeight: 505.3584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1Br)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1Br)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC

InChI

InChI=1S/C23H25BrN2O6/c1-5-30-18(28)11-31-21-14(24)6-12(7-16(21)29-4)19-13(10-25)22(26)32-17-9-23(2,3)8-15(27)20(17)19/h6-7,19H,5,8-9,11,26H2,1-4H3