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

Systemtic Name: ethyl 2-azanyl-4-[5-bromanyl-2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC#N)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC#N)C(=O)CC(C2)(C)C)N

InChI

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