1-(2-nitrophenyl)-5-(2-oxidanylidenepropyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-nitrophenyl)-5-(2-oxidanylidenepropyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-acetonyl-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-nitrophenyl)-5-(2-oxopropyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-nitrophenyl)-5-(2-oxopropyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-acetonyl-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O4/c1-9(20)7-17-8-15-13-10(14(17)21)6-16-18(13)11-4-2-3-5-12(11)19(22)23/h2-6,8H,7H2,1H3