methyl 2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-(5-bromo-2-ethoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N

InChI

InChI=1S/C21H24BrNO5/c1-5-27-14-7-6-11(22)8-12(14)16-17-13(24)9-21(2,3)10-15(17)28-19(23)18(16)20(25)26-4/h6-8,16H,5,9-10,23H2,1-4H3