methyl 2-azanyl-5-methylsulfonyl-4-(6-oxidanylidene-1H-pyridazin-3-yl)benzoate

Systemtic Name: methyl 2-azanyl-5-methylsulfonyl-4-(6-oxidanylidene-1H-pyridazin-3-yl)benzoate Openeye Name: methyl 2-amino-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoate CAS Name: 2-amino-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoic acid methyl ester IUPAC Name: methyl 2-amino-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoate Traditional Name: 2-amino-4-(6-keto-1H-pyridazin-3-yl)-5-mesyl-benzoic acid methyl ester Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C(=C1)S(=O)(=O)C)C2=NNC(=O)C=C2)N

Isomeric SMILES

COC(=O)C1=C(C=C(C(=C1)S(=O)(=O)C)C2=NNC(=O)C=C2)N

InChI

InChI=1S/C13H13N3O5S/c1-21-13(18)7-6-11(22(2,19)20)8(5-9(7)14)10-3-4-12(17)16-15-10/h3-6H,14H2,1-2H3,(H,16,17)