4-[(5-chloranyl-3-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-[(5-chloranyl-3-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-[(5-chloro-2-hydroxy-3-nitro-phenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(5-chloro-2-hydroxy-3-nitrophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(5-chloro-2-hydroxy-3-nitrophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(5-chloro-2-hydroxy-3-nitro-phenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C29H26ClN5O5 MolecularWeight: 560.00024

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H26ClN5O5/c1-17-24(28(37)33(31(17)3)20-11-7-5-8-12-20)26(22-15-19(30)16-23(27(22)36)35(39)40)25-18(2)32(4)34(29(25)38)21-13-9-6-10-14-21/h5-16,26,36H,1-4H3