methyl 2-[(4E)-4-(dimethylaminomethylidene)-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4E)-4-(dimethylaminomethylidene)-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4E)-4-(dimethylaminomethylene)-1-(4-fluorophenyl)-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-4-(dimethylaminomethylidene)-1-(4-fluorophenyl)-5-oxo-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-4-(dimethylaminomethylidene)-1-(4-fluorophenyl)-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4E)-4-(dimethylaminomethylene)-1-(4-fluorophenyl)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C15H16FN3O3 MolecularWeight: 305.304243

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C1C(=NN(C1=O)C2=CC=C(C=C2)F)CC(=O)OC

Isomeric SMILES

CN(C)/C=C/1\C(=NN(C1=O)C2=CC=C(C=C2)F)CC(=O)OC

InChI

InChI=1S/C15H16FN3O3/c1-18(2)9-12-13(8-14(20)22-3)17-19(15(12)21)11-6-4-10(16)5-7-11/h4-7,9H,8H2,1-3H3/b12-9+