methyl 2-[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]benzoate

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]benzoate Openeye Name: methyl 2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methylamino]benzoate CAS Name: 2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]methylamino]benzoate Traditional Name: 2-[[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methylamino]benzoic acid methyl ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3/c1-3-6-19-17(13-23-18-8-5-4-7-16(18)21(27)28-2)20(26)25(24-19)15-11-9-14(22)10-12-15/h4-5,7-13,23H,3,6H2,1-2H3