methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]pyrazole-3-carboxylic acid methyl ester Formula: C14H14FN3O3 MolecularWeight: 291.277663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)CC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=NN(C=C1)CC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H14FN3O3/c1-21-14(20)12-6-7-18(17-12)9-13(19)16-8-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3,(H,16,19)