ethyl (3R,4S)-2-ethanoyl-5-[(2R)-2-methyloxiran-2-yl]carbonyl-4-(4-nitrophenyl)-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl (3R,4S)-2-ethanoyl-5-[(2R)-2-methyloxiran-2-yl]carbonyl-4-(4-nitrophenyl)-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl (3R,4S)-2-acetyl-5-[(2R)-2-methyloxirane-2-carbonyl]-4-(4-nitrophenyl)-3,4-dihydropyrazole-3-carboxylate CAS Name: (3R,4S)-2-acetyl-5-[[(2R)-2-methyl-2-oxiranyl]-oxomethyl]-4-(4-nitrophenyl)-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-2-acetyl-5-[(2R)-2-methyloxirane-2-carbonyl]-4-(4-nitrophenyl)-3,4-dihydropyrazole-3-carboxylate Traditional Name: (3R,4S)-2-acetyl-5-[(2R)-2-methyloxirane-2-carbonyl]-4-(4-nitrophenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NN1C(=O)C)C(=O)C2(CO2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=NN1C(=O)C)C(=O)[C@]2(CO2)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-4-27-17(24)15-13(11-5-7-12(8-6-11)21(25)26)14(19-20(15)10(2)22)16(23)18(3)9-28-18/h5-8,13,15H,4,9H2,1-3H3/t13-,15-,18-/m1/s1