(4E)-2-(4-bromophenyl)-5-methyl-4-[[(4-nitro-2-oxidanyl-phenyl)amino]methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[(4-nitro-2-oxidanyl-phenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-4-[(2-hydroxy-4-nitro-anilino)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-4-[(2-hydroxy-4-nitroanilino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-4-[(2-hydroxy-4-nitroanilino)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-4-[(2-hydroxy-4-nitro-anilino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=C(C=C(C=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN4O4/c1-10-14(9-19-15-7-6-13(22(25)26)8-16(15)23)17(24)21(20-10)12-4-2-11(18)3-5-12/h2-9,19,23H,1H3/b14-9+