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

Systemtic Name: ethyl 4-(4-butyl-5-oxidanylidene-1,2-dihydropyrazol-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(4-butyl-5-oxo-1,2-dihydropyrazol-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-butyl-5-oxo-1,2-dihydropyrazol-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butyl-5-oxo-1,2-dihydropyrazol-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-butyl-5-keto-3-pyrazolin-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NNC1=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCCCC1=C(NNC1=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C16H23N3O3/c1-5-7-8-11-14(18-19-15(11)20)12-9(3)13(17-10(12)4)16(21)22-6-2/h17H,5-8H2,1-4H3,(H2,18,19,20)