[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-11-16(21(27)28-4)12(2)23-17(11)19(25)13(3)29-20(26)15-10-22-24-18(15)14-8-6-5-7-9-14/h5-10,13,23H,1-4H3,(H,22,24)