[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 1,5-dimethylpyrazole-4-carboxylate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 1,5-dimethylpyrazole-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 1,5-dimethylpyrazole-4-carboxylate CAS Name: 1,5-dimethyl-4-pyrazolecarboxylic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate Traditional Name: 1,5-dimethylpyrazole-4-carboxylic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=NN1C)C(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H17N3O3/c1-10-13(9-19-20(10)3)17(22)23-11(2)16(21)14-8-18-15-7-5-4-6-12(14)15/h4-9,11,18H,1-3H3