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

Systemtic Name: methyl 2-azanyl-4-[5-bromanyl-2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-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-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=C(C=CC(=C3)Br)OCC#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=C(C=CC(=C3)Br)OCC#N)C(=O)C1)C

InChI

InChI=1S/C21H21BrN2O5/c1-21(2)9-13(25)17-15(10-21)29-19(24)18(20(26)27-3)16(17)12-8-11(22)4-5-14(12)28-7-6-23/h4-5,8,16H,7,9-10,24H2,1-3H3