5-(4-chloranyl-2-nitro-phenyl)-1,3-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(4-chloranyl-2-nitro-phenyl)-1,3-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(4-chloro-2-nitro-phenyl)-1,3-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(4-chloro-2-nitrophenyl)-1,3-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(4-chloro-2-nitrophenyl)-1,3-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(4-chloro-2-nitro-phenyl)-1,3-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C13H10ClN5O3 MolecularWeight: 319.7032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1NC(=NC2=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C2=C1NC(=NC2=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C13H10ClN5O3/c1-6-10-11(18(2)17-6)13(20)16-12(15-10)8-4-3-7(14)5-9(8)19(21)22/h3-5H,1-2H3,(H,15,16,20)