methyl (1R,5S)-5-methyl-3-[2-(4-nitrophenyl)ethyl]-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,5S)-5-methyl-3-[2-(4-nitrophenyl)ethyl]-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl (1R,5S)-5-methyl-3-[2-(4-nitrophenyl)ethyl]-2-oxo-cyclopentanecarboxylate CAS Name: (1R,5S)-5-methyl-3-[2-(4-nitrophenyl)ethyl]-2-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-methyl-3-[2-(4-nitrophenyl)ethyl]-2-oxocyclopentane-1-carboxylate Traditional Name: (1R,5S)-2-keto-5-methyl-3-[2-(4-nitrophenyl)ethyl]cyclopentanecarboxylic acid methyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C1C(=O)OC)CCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC(C(=O)[C@@H]1C(=O)OC)CCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO5/c1-10-9-12(15(18)14(10)16(19)22-2)6-3-11-4-7-13(8-5-11)17(20)21/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3/t10-,12?,14+/m0/s1