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

Systemtic Name: 2-[cyanomethyl-[[7-oxidanyl-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-8-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[7-hydroxy-2-oxo-4-(2-oxochromen-3-yl)chromen-8-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[7-hydroxy-2-oxo-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-8-yl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[7-hydroxy-2-oxo-4-(2-oxochromen-3-yl)chromen-8-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[7-hydroxy-2-keto-4-(2-ketochromen-3-yl)chromen-8-yl]methyl]amino]acetonitrile Formula: C23H15N3O5 MolecularWeight: 413.3823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=O)OC4=C3C=CC(=C4CN(CC#N)CC#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=O)OC4=C3C=CC(=C4CN(CC#N)CC#N)O

InChI

InChI=1S/C23H15N3O5/c24-7-9-26(10-8-25)13-18-19(27)6-5-15-16(12-21(28)31-22(15)18)17-11-14-3-1-2-4-20(14)30-23(17)29/h1-6,11-12,27H,9-10,13H2