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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC(=O)OC

InChI

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