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

Systemtic Name: ethyl 3,5-dimethyl-4-(5-oxidanylidene-4-pentyl-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(5-oxo-4-pentyl-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-(5-oxo-4-pentyl-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(5-oxo-4-pentyl-1,2-dihydropyrazol-3-yl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-amyl-5-keto-3-pyrazolin-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NNC1=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCCCCC1=C(NNC1=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C17H25N3O3/c1-5-7-8-9-12-15(19-20-16(12)21)13-10(3)14(18-11(13)4)17(22)23-6-2/h18H,5-9H2,1-4H3,(H2,19,20,21)