methyl 3-(2-fluorophenyl)-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 3-(2-fluorophenyl)-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxidanylidene-pentanoate Openeye Name: methyl 3-(2-fluorophenyl)-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxo-pentanoate CAS Name: 2-[(1E)-1-[[anilino(oxo)methyl]hydrazinylidene]ethyl]-3-(2-fluorophenyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 3-(2-fluorophenyl)-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxopentanoate Traditional Name: 3-(2-fluorophenyl)-4-keto-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]valeric acid methyl ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1F)C(C(=NNC(=O)NC2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1F)C(/C(=N/NC(=O)NC2=CC=CC=C2)/C)C(=O)OC

InChI

InChI=1S/C21H22FN3O4/c1-13(24-25-21(28)23-15-9-5-4-6-10-15)18(20(27)29-3)19(14(2)26)16-11-7-8-12-17(16)22/h4-12,18-19H,1-3H3,(H2,23,25,28)/b24-13+