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

Systemtic Name: 5-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H16N6O4 MolecularWeight: 428.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O4/c1-13-20(14-6-2-3-7-16(14)25-13)19(29)11-26-12-23-21-15(22(26)30)10-24-27(21)17-8-4-5-9-18(17)28(31)32/h2-10,12,25H,11H2,1H3