ethyl (4R,5R)-3-[(2S)-2-methyloxiran-2-yl]carbonyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl (4R,5R)-3-[(2S)-2-methyloxiran-2-yl]carbonyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl (4R,5R)-3-[(2S)-2-methyloxirane-2-carbonyl]-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate CAS Name: (4R,5R)-3-[[(2S)-2-methyl-2-oxiranyl]-oxomethyl]-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5R)-3-[(2S)-2-methyloxirane-2-carbonyl]-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (3R,4R)-5-[(2S)-2-methyloxirane-2-carbonyl]-4-(3-nitrophenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NN1)C(=O)C2(CO2)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](C(=NN1)C(=O)[C@@]2(CO2)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c1-3-24-15(21)13-11(9-5-4-6-10(7-9)19(22)23)12(17-18-13)14(20)16(2)8-25-16/h4-7,11,13,18H,3,8H2,1-2H3/t11-,13+,16-/m0/s1