4-cyclohexyl-2-ethanoyl-3-(2-nitrophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-cyclohexyl-2-ethanoyl-3-(2-nitrophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-acetyl-4-cyclohexyl-3-(2-nitrophenyl)-4-oxo-butanoic acid CAS Name: 2-acetyl-4-cyclohexyl-3-(2-nitrophenyl)-4-oxobutanoic acid IUPAC Name: 2-acetyl-4-cyclohexyl-3-(2-nitrophenyl)-4-oxobutanoic acid Traditional Name: 2-acetyl-4-cyclohexyl-4-keto-3-(2-nitrophenyl)butyric acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1[N+](=O)[O-])C(=O)C2CCCCC2)C(=O)O

Isomeric SMILES

CC(=O)C(C(C1=CC=CC=C1[N+](=O)[O-])C(=O)C2CCCCC2)C(=O)O

InChI

InChI=1S/C18H21NO6/c1-11(20)15(18(22)23)16(17(21)12-7-3-2-4-8-12)13-9-5-6-10-14(13)19(24)25/h5-6,9-10,12,15-16H,2-4,7-8H2,1H3,(H,22,23)