5-methyl-4-[(S)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-pyrazol-3-olate

Systemtic Name: 5-methyl-4-[(S)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-pyrazol-3-olate Openeye Name: 5-methyl-4-[(S)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-pyrazol-3-olate CAS Name: 5-methyl-4-[(S)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-4-[(S)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenylpyrazol-3-olate Traditional Name: 4-[(S)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(4-nitrophenyl)methyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C27H22N5O4- MolecularWeight: 480.49468

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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)[N+](=O)[O-])C4=C(N(N=C4C)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])C4=C(N(N=C4C)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H23N5O4/c1-17-23(26(33)30(28-17)20-9-5-3-6-10-20)25(19-13-15-22(16-14-19)32(35)36)24-18(2)29-31(27(24)34)21-11-7-4-8-12-21/h3-16,25,28,34H,1-2H3/p-1/t25-/m1/s1