diethyl (4R,5S)-3-(5-nitrofuran-2-yl)-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate

Systemtic Name: diethyl (4R,5S)-3-(5-nitrofuran-2-yl)-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate Openeye Name: diethyl (4R,5S)-3-(5-nitro-2-furyl)-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate CAS Name: (4R,5S)-3-(5-nitro-2-furanyl)-4,5-dihydro-1H-pyrazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4R,5S)-3-(5-nitrofuran-2-yl)-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate Traditional Name: (3S,4R)-5-(5-nitro-2-furyl)-2-pyrazoline-3,4-dicarboxylic acid diethyl ester Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NN=C1C2=CC=C(O2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NN=C1C2=CC=C(O2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C13H15N3O7/c1-3-21-12(17)9-10(7-5-6-8(23-7)16(19)20)14-15-11(9)13(18)22-4-2/h5-6,9,11,15H,3-4H2,1-2H3/t9-,11-/m0/s1