3-[5-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(E)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]-2-furyl]benzoate Formula: C23H17N2O4- MolecularWeight: 385.39208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-])C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-])/C(=N2)C

InChI

InChI=1S/C23H18N2O4/c1-14-6-8-18(9-7-14)25-22(26)20(15(2)24-25)13-19-10-11-21(29-19)16-4-3-5-17(12-16)23(27)28/h3-13H,1-2H3,(H,27,28)/p-1/b20-13+