ethyl 4-[[3,4-dimethyl-2,5-bis(oxidanylidene)pyrazol-2-ium-1-yl]amino]-2-sulfamoyl-benzoate

Systemtic Name: ethyl 4-[[3,4-dimethyl-2,5-bis(oxidanylidene)pyrazol-2-ium-1-yl]amino]-2-sulfamoyl-benzoate Openeye Name: ethyl 4-[(3,4-dimethyl-2,5-dioxo-pyrazol-2-ium-1-yl)amino]-2-sulfamoyl-benzoate CAS Name: 4-[(3,4-dimethyl-2,5-dioxo-1-pyrazol-2-iumyl)amino]-2-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dimethyl-2,5-dioxopyrazol-2-ium-1-yl)amino]-2-sulfamoylbenzoate Traditional Name: 4-[(2,5-diketo-3,4-dimethyl-3-pyrazolin-2-ium-1-yl)amino]-2-sulfamoyl-benzoic acid ethyl ester Formula: C14H17N4O6S+ MolecularWeight: 369.37298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NN2C(=O)C(=C([N+]2=O)C)C)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NN2C(=O)C(=C([N+]2=O)C)C)S(=O)(=O)N

InChI

InChI=1S/C14H16N4O6S/c1-4-24-14(20)11-6-5-10(7-12(11)25(15,22)23)16-17-13(19)8(2)9(3)18(17)21/h5-7H,4H2,1-3H3,(H2-,15,16,20,22,23)/p+1