1,5-dimethyl-2-phenyl-4-[(2,4,6-trinitrophenyl)amino]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(2,4,6-trinitrophenyl)amino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-trinitroanilino)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-trinitroanilino)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-trinitroanilino)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-trinitroanilino)-3-pyrazolin-3-one Formula: C17H14N6O7 MolecularWeight: 414.32906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O7/c1-10-15(17(24)20(19(10)2)11-6-4-3-5-7-11)18-16-13(22(27)28)8-12(21(25)26)9-14(16)23(29)30/h3-9,18H,1-2H3