ethyl (1R,2R,3R,4S)-2-(4-bromophenyl)-1-ethanoyl-4-(2-ethoxy-2-oxidanylidene-ethyl)-3-nitro-cyclopentane-1-carboxylate

Systemtic Name: ethyl (1R,2R,3R,4S)-2-(4-bromophenyl)-1-ethanoyl-4-(2-ethoxy-2-oxidanylidene-ethyl)-3-nitro-cyclopentane-1-carboxylate Openeye Name: ethyl (1R,2R,3R,4S)-1-acetyl-2-(4-bromophenyl)-4-(2-ethoxy-2-oxo-ethyl)-3-nitro-cyclopentanecarboxylate CAS Name: (1R,2R,3R,4S)-1-acetyl-2-(4-bromophenyl)-4-(2-ethoxy-2-oxoethyl)-3-nitro-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,3R,4S)-1-acetyl-2-(4-bromophenyl)-4-(2-ethoxy-2-oxoethyl)-3-nitrocyclopentane-1-carboxylate Traditional Name: (1R,2R,3R,4S)-1-acetyl-2-(4-bromophenyl)-4-(2-ethoxy-2-keto-ethyl)-3-nitro-cyclopentanecarboxylic acid ethyl ester Formula: C20H24BrNO7 MolecularWeight: 470.31106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC(C(C1[N+](=O)[O-])C2=CC=C(C=C2)Br)(C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C[C@@H]1C[C@@]([C@H]([C@@H]1[N+](=O)[O-])C2=CC=C(C=C2)Br)(C(=O)C)C(=O)OCC

InChI

InChI=1S/C20H24BrNO7/c1-4-28-16(24)10-14-11-20(12(3)23,19(25)29-5-2)17(18(14)22(26)27)13-6-8-15(21)9-7-13/h6-9,14,17-18H,4-5,10-11H2,1-3H3/t14-,17+,18-,20+/m1/s1