2-[(Z)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoate

Systemtic Name: 2-[(Z)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoate Openeye Name: 2-[(Z)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]benzoate CAS Name: 2-[(Z)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]benzoate IUPAC Name: 2-[(Z)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzoate Traditional Name: 2-[(Z)-[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzoate Formula: C28H21N4O4- MolecularWeight: 477.49074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4C(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)[C@H]1/C(=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)/C4=CC=CC=C4C(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O4/c1-17-23(26(33)31(29-17)19-11-5-3-6-12-19)25(21-15-9-10-16-22(21)28(35)36)24-18(2)30-32(27(24)34)20-13-7-4-8-14-20/h3-16,23H,1-2H3,(H,35,36)/p-1/b25-24+/t23-/m1/s1