2,4-bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)cyclobutane-1,3-diolate

Systemtic Name: 2,4-bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)cyclobutane-1,3-diolate Openeye Name: 2,4-bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)cyclobutane-1,3-diolate CAS Name: 2,4-bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)cyclobutane-1,3-diolate IUPAC Name: 2,4-bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)cyclobutane-1,3-diolate Traditional Name: 2,4-bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)cyclobutane-1,3-diolate Formula: C24H22N4O4-2 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3C(C(C3[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3C(C(C3[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C)[O-]

InChI

InChI=1S/C24H22N4O4/c1-13-17(23(31)27(25-13)15-9-5-3-6-10-15)19-21(29)20(22(19)30)18-14(2)26-28(24(18)32)16-11-7-4-8-12-16/h3-12,19-22,25-26H,1-2H3/q-2