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

Systemtic Name: 5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(3-nitro-4-oxidanyl-phenyl)methyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(4-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)O)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)O)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H23N5O5/c1-16-23(26(34)30(28-16)19-9-5-3-6-10-19)25(18-13-14-22(33)21(15-18)32(36)37)24-17(2)29-31(27(24)35)20-11-7-4-8-12-20/h3-15,25,28-29,33H,1-2H3