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

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[[2,3,4-tris(bromanyl)-6-oxidanyl-phenyl]amino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(2,3,4-tribromo-6-hydroxy-anilino)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(2,3,4-tribromo-6-hydroxyanilino)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(2,3,4-tribromo-6-hydroxyanilino)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(2,3,4-tribromo-6-hydroxy-anilino)-3-pyrazolin-3-one Formula: C17H14Br3N3O2 MolecularWeight: 532.02396

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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=C3O)Br)Br)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=C(C=C3O)Br)Br)Br

InChI

InChI=1S/C17H14Br3N3O2/c1-9-15(21-16-12(24)8-11(18)13(19)14(16)20)17(25)23(22(9)2)10-6-4-3-5-7-10/h3-8,21,24H,1-2H3