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

Systemtic Name: ethyl 4-(4-hexadecyl-5-oxidanylidene-1,2-dihydropyrazol-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(4-hexadecyl-5-oxo-1,2-dihydropyrazol-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-hexadecyl-5-oxo-1,2-dihydropyrazol-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hexadecyl-5-oxo-1,2-dihydropyrazol-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-cetyl-5-keto-3-pyrazolin-3-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C28H47N3O3 MolecularWeight: 473.69108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(NNC1=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(NNC1=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C28H47N3O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(30-31-27(23)32)24-21(3)25(29-22(24)4)28(33)34-6-2/h29H,5-20H2,1-4H3,(H2,30,31,32)