[2-(2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-4-yl)-4-bromanyl-phenyl] morpholine-4-carboxylate

Systemtic Name: [2-(2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-4-yl)-4-bromanyl-phenyl] morpholine-4-carboxylate Openeye Name: [2-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)-4-bromo-phenyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [2-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)-4-bromophenyl] ester IUPAC Name: [2-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)-4-bromophenyl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [2-(2-amino-3-cyano-5-keto-7-methyl-4H-pyrano[3,2-c]pyran-4-yl)-4-bromo-phenyl] ester Formula: C21H18BrN3O6 MolecularWeight: 488.28812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OC(=O)N4CCOCC4)C(=O)O1

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OC(=O)N4CCOCC4)C(=O)O1

InChI

InChI=1S/C21H18BrN3O6/c1-11-8-16-18(20(26)29-11)17(14(10-23)19(24)30-16)13-9-12(22)2-3-15(13)31-21(27)25-4-6-28-7-5-25/h2-3,8-9,17H,4-7,24H2,1H3