methyl 4-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O4/c1-14-19(15(2)25(24-14)18-7-5-4-6-8-18)20(26)21(27)23-13-16-9-11-17(12-10-16)22(28)29-3/h4-12H,13H2,1-3H3,(H,23,27)