sodium 4-[(3Z)-5-aminocarbonyl-3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)cyclohexen-1-yl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: sodium 4-[(3Z)-5-aminocarbonyl-3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)cyclohexen-1-yl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: sodium 4-[(3Z)-5-carbamoyl-3-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)cyclohexen-1-yl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: sodium 4-[(3Z)-5-carbamoyl-3-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-cyclohexenyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: sodium 4-[(3Z)-5-carbamoyl-3-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)cyclohexen-1-yl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: sodium 4-[(3Z)-5-carbamoyl-3-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)cyclohexen-1-yl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C27H24N5NaO3 MolecularWeight: 489.50093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC(=C3C(=NN(C3=O)C4=CC=CC=C4)C)CC(C2)C(=O)N)[O-])C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC1=NN(C(=C1C2=C/C(=C\3/C(=NN(C3=O)C4=CC=CC=C4)C)/CC(C2)C(=O)N)[O-])C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C27H25N5O3.Na/c1-16-23(26(34)31(29-16)21-9-5-3-6-10-21)18-13-19(15-20(14-18)25(28)33)24-17(2)30-32(27(24)35)22-11-7-4-8-12-22;/h3-13,20,34H,14-15H2,1-2H3,(H2,28,33);/q;+1/p-1/b24-19+;