4-[3-methyl-4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-5-oxidanidyl-pyrazol-1-yl]benzoate

Systemtic Name: 4-[3-methyl-4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-5-oxidanidyl-pyrazol-1-yl]benzoate Openeye Name: 4-[3-methyl-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-5-oxido-pyrazol-1-yl]benzoate CAS Name: 4-[3-methyl-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-5-oxido-1-pyrazolyl]benzoate IUPAC Name: 4-[3-methyl-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-5-oxidopyrazol-1-yl]benzoate Traditional Name: 4-[4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-3-methyl-5-oxido-pyrazol-1-yl]benzoate Formula: C22H16N4O4-2 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(N(N=C2C)C3=CC=C(C=C3)C(=O)[O-])[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=C(N(N=C2C)C3=CC=C(C=C3)C(=O)[O-])[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4/c1-13-18(20(27)25(23-13)16-6-4-3-5-7-16)12-19-14(2)24-26(21(19)28)17-10-8-15(9-11-17)22(29)30/h3-12,28H,1-2H3,(H,29,30)/p-2