2-[[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[4-(6-bromo-2-oxo-chromen-3-yl)-7-hydroxy-2-oxo-chromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-7-hydroxy-2-oxo-1-benzopyran-8-yl]methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-2-oxochromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[4-(6-bromo-2-keto-chromen-3-yl)-7-hydroxy-2-keto-chromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile Formula: C23H14BrN3O5 MolecularWeight: 492.27836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C=C(C(=O)O2)C3=CC(=O)OC4=C3C=CC(=C4CN(CC#N)CC#N)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C=C(C(=O)O2)C3=CC(=O)OC4=C3C=CC(=C4CN(CC#N)CC#N)O

InChI

InChI=1S/C23H14BrN3O5/c24-14-1-4-20-13(9-14)10-17(23(30)31-20)16-11-21(29)32-22-15(16)2-3-19(28)18(22)12-27(7-5-25)8-6-26/h1-4,9-11,28H,7-8,12H2