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

Systemtic Name: 5-methyl-4-[(S)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-(2-nitrophenyl)methyl]-2-phenyl-pyrazol-3-olate Openeye Name: 5-methyl-4-[(S)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(2-nitrophenyl)methyl]-2-phenyl-pyrazol-3-olate CAS Name: 5-methyl-4-[(S)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(2-nitrophenyl)methyl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-4-[(S)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(2-nitrophenyl)methyl]-2-phenylpyrazol-3-olate Traditional Name: 4-[(S)-[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-(2-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=NN(C(=O)C1C(C2=CC=CC=C2[N+](=O)[O-])C3=C(N(N=C3C)C4=CC=CC=C4)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)[C@H]1[C@@H](C2=CC=CC=C2[N+](=O)[O-])C3=C(N(N=C3C)C4=CC=CC=C4)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O4/c1-17-23(26(33)30(28-17)19-11-5-3-6-12-19)25(21-15-9-10-16-22(21)32(35)36)24-18(2)29-31(27(24)34)20-13-7-4-8-14-20/h3-16,23,25,34H,1-2H3/p-1/t23-,25-/m1/s1