methyl (4R,5S)-3-(5-nitrofuran-2-yl)-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate

Systemtic Name: methyl (4R,5S)-3-(5-nitrofuran-2-yl)-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: methyl (4R,5S)-3-(5-nitro-2-furyl)-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate CAS Name: (4R,5S)-3-(5-nitro-2-furanyl)-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-3-(5-nitrofuran-2-yl)-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (3S,4R)-5-(5-nitro-2-furyl)-4-phenyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=NN1)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1[C@H](C(=NN1)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O5/c1-22-15(19)14-12(9-5-3-2-4-6-9)13(16-17-14)10-7-8-11(23-10)18(20)21/h2-8,12,14,17H,1H3/t12-,14-/m0/s1