2-(3-azanyl-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-nitro-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-nitro-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-nitro-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-nitro-6-(2-sulfamoylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-5-ethyl-N-[2-nitro-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-aminoindoxazen-5-yl)-5-ethyl-N-[2-nitro-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Formula: C25H21N7O6S MolecularWeight: 547.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2[N+](=O)[O-])C3=CC=CC=C3S(=O)(=O)N)C4=CC5=C(C=C4)ON=C5N

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2[N+](=O)[O-])C3=CC=CC=C3S(=O)(=O)N)C4=CC5=C(C=C4)ON=C5N

InChI

InChI=1S/C25H21N7O6S/c1-2-14-12-20(31(29-14)15-10-11-21-18(13-15)24(26)30-38-21)25(33)28-23-17(7-5-8-19(23)32(34)35)16-6-3-4-9-22(16)39(27,36)37/h3-13H,2H2,1H3,(H2,26,30)(H,28,33)(H2,27,36,37)