4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(5,7-dinitrobenzofurazan-4-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C17H13N7O6 MolecularWeight: 411.32842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C4=NON=C34)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C4=NON=C34)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O6/c1-9-13(17(25)22(21(9)2)10-6-4-3-5-7-10)18-14-11(23(26)27)8-12(24(28)29)15-16(14)20-30-19-15/h3-8,18H,1-2H3