5-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(7-ethyl-2-keto-chromen-4-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H17N5O5 MolecularWeight: 443.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O5/c1-2-14-7-8-16-15(10-21(29)33-20(16)9-14)12-26-13-24-22-17(23(26)30)11-25-27(22)18-5-3-4-6-19(18)28(31)32/h3-11,13H,2,12H2,1H3