phenyl 5-ethyl-3-(5-nitrofuran-2-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: phenyl 5-ethyl-3-(5-nitrofuran-2-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: phenyl 5-ethyl-3-(5-nitro-2-furyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-ethyl-3-(5-nitro-2-furanyl)-1-phenyl-4-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 5-ethyl-3-(5-nitrofuran-2-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-ethyl-3-(5-nitro-2-furyl)-1-phenyl-pyrazole-4-carboxylic acid phenyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-])C(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-])C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O5/c1-2-17-20(22(26)29-16-11-7-4-8-12-16)21(18-13-14-19(30-18)25(27)28)23-24(17)15-9-5-3-6-10-15/h3-14H,2H2,1H3