(phenylmethyl) (5Z)-4-ethyl-5-[[3-(furan-3-yl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]methylidene]-3-methyl-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) (5Z)-4-ethyl-5-[[3-(furan-3-yl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]methylidene]-3-methyl-pyrrole-2-carboxylate Openeye Name: benzyl (5Z)-4-ethyl-5-[[3-(3-furyl)-5-oxo-1,2-dihydropyrazol-4-yl]methylene]-3-methyl-pyrrole-2-carboxylate CAS Name: (5Z)-4-ethyl-5-[[3-(3-furanyl)-5-oxo-1,2-dihydropyrazol-4-yl]methylidene]-3-methyl-2-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5Z)-4-ethyl-5-[[3-(furan-3-yl)-5-oxo-1,2-dihydropyrazol-4-yl]methylidene]-3-methylpyrrole-2-carboxylate Traditional Name: (5Z)-4-ethyl-5-[[3-(3-furyl)-5-keto-3-pyrazolin-4-yl]methylene]-3-methyl-pyrrole-2-carboxylic acid benzyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC1=CC2=C(NNC2=O)C3=COC=C3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCC\1=C(C(=N/C1=C\C2=C(NNC2=O)C3=COC=C3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O4/c1-3-17-14(2)20(23(28)30-12-15-7-5-4-6-8-15)24-19(17)11-18-21(25-26-22(18)27)16-9-10-29-13-16/h4-11,13H,3,12H2,1-2H3,(H2,25,26,27)/b19-11-