5-chloranyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-1H-pyridazin-6-one CAS Name: 5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-1H-pyridazin-6-one Traditional Name: 5-chloro-3-nitro-4-(veratrylamino)-1H-pyridazin-6-one Formula: C13H13ClN4O5 MolecularWeight: 340.71912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C13H13ClN4O5/c1-22-8-4-3-7(5-9(8)23-2)6-15-11-10(14)13(19)17-16-12(11)18(20)21/h3-5H,6H2,1-2H3,(H2,15,17,19)