ethyl 3,5-dimethyl-4-(5-oxidanylidene-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(5-oxidanylidene-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(5-keto-3-pyrazolin-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=CC(=O)NN2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=CC(=O)NN2)C

InChI

InChI=1S/C12H15N3O3/c1-4-18-12(17)11-6(2)10(7(3)13-11)8-5-9(16)15-14-8/h5,13H,4H2,1-3H3,(H2,14,15,16)