[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C15H17N5O7S MolecularWeight: 411.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O7S/c1-9-15(20(23)24)10(2)19(18-9)7-14(22)27-8-13(21)17-11-4-3-5-12(6-11)28(16,25)26/h3-6H,7-8H2,1-2H3,(H,17,21)(H2,16,25,26)