3-methyl-1-[(4-nitrophenyl)methyl]-2-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 3-methyl-1-[(4-nitrophenyl)methyl]-2-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 3-methyl-1-[(4-nitrophenyl)methyl]-2-oxo-cyclopentanecarboxylic acid CAS Name: 3-methyl-1-[(4-nitrophenyl)methyl]-2-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 3-methyl-1-[(4-nitrophenyl)methyl]-2-oxocyclopentane-1-carboxylic acid Traditional Name: 2-keto-3-methyl-1-(4-nitrobenzyl)cyclopentanecarboxylic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1=O)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1CCC(C1=O)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H15NO5/c1-9-6-7-14(12(9)16,13(17)18)8-10-2-4-11(5-3-10)15(19)20/h2-5,9H,6-8H2,1H3,(H,17,18)