4-[(4-bromanyl-5-nitro-2-oxidanyl-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(4-bromanyl-5-nitro-2-oxidanyl-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(4-bromo-2-hydroxy-5-nitro-phenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(4-bromo-2-hydroxy-5-nitrophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(4-bromo-2-hydroxy-5-nitrophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(4-bromo-2-hydroxy-5-nitro-phenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C29H26BrN5O5 MolecularWeight: 604.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3O)Br)[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3O)Br)[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H26BrN5O5/c1-17-25(28(37)33(31(17)3)19-11-7-5-8-12-19)27(21-15-23(35(39)40)22(30)16-24(21)36)26-18(2)32(4)34(29(26)38)20-13-9-6-10-14-20/h5-16,27,36H,1-4H3