[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)C2=CC=CN2C

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)C2=CC=CN2C

InChI

InChI=1S/C14H17N3O3/c1-9-13(10(2)17(4)15-9)14(19)20-8-12(18)11-6-5-7-16(11)3/h5-7H,8H2,1-4H3