3-(4-chloranyl-3-nitro-phenyl)-1,6-dimethyl-pyrimido[4,5-c]pyridazine-5,7-dione

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-1,6-dimethyl-pyrimido[4,5-c]pyridazine-5,7-dione Openeye Name: 3-(4-chloro-3-nitro-phenyl)-1,6-dimethyl-pyrimido[4,5-c]pyridazine-5,7-dione CAS Name: 3-(4-chloro-3-nitrophenyl)-1,6-dimethylpyrimido[4,5-c]pyridazine-5,7-dione IUPAC Name: 3-(4-chloro-3-nitrophenyl)-1,6-dimethylpyrimido[4,5-c]pyridazine-5,7-dione Traditional Name: 3-(4-chloro-3-nitro-phenyl)-1,6-dimethyl-pyrimido[4,5-c]pyridazine-5,7-quinone Formula: C14H10ClN5O4 MolecularWeight: 347.7133

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=O)N(C(=O)C2=CC(=N1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CN1C2=NC(=O)N(C(=O)C2=CC(=N1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C14H10ClN5O4/c1-18-13(21)8-6-10(17-19(2)12(8)16-14(18)22)7-3-4-9(15)11(5-7)20(23)24/h3-6H,1-2H3