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

Systemtic Name: 4-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]benzoate Formula: C22H15N2O4- MolecularWeight: 371.3655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O4/c1-14-19(21(25)24(23-14)17-5-3-2-4-6-17)13-18-11-12-20(28-18)15-7-9-16(10-8-15)22(26)27/h2-13H,1H3,(H,26,27)/p-1/b19-13+