ethyl 1-[(1S)-1-(3-bromophenyl)-2-nitro-ethyl]-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[(1S)-1-(3-bromophenyl)-2-nitro-ethyl]-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: ethyl 1-[(1S)-1-(3-bromophenyl)-2-nitro-ethyl]-2-oxo-cyclopentanecarboxylate CAS Name: 1-[(1S)-1-(3-bromophenyl)-2-nitroethyl]-2-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1S)-1-(3-bromophenyl)-2-nitroethyl]-2-oxocyclopentane-1-carboxylate Traditional Name: 1-[(1S)-1-(3-bromophenyl)-2-nitro-ethyl]-2-keto-cyclopentanecarboxylic acid ethyl ester Formula: C16H18BrNO5 MolecularWeight: 384.22182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1=O)C(C[N+](=O)[O-])C2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1(CCCC1=O)[C@@H](C[N+](=O)[O-])C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H18BrNO5/c1-2-23-15(20)16(8-4-7-14(16)19)13(10-18(21)22)11-5-3-6-12(17)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3/t13-,16?/m0/s1