(4-nitrophenyl)methyl 3-oxidanylidene-2-[(2-oxidanylidenecyclohexyl)methyl]butanoate

Systemtic Name: (4-nitrophenyl)methyl 3-oxidanylidene-2-[(2-oxidanylidenecyclohexyl)methyl]butanoate Openeye Name: (4-nitrophenyl)methyl 3-oxo-2-[(2-oxocyclohexyl)methyl]butanoate CAS Name: 3-oxo-2-[(2-oxocyclohexyl)methyl]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-oxo-2-[(2-oxocyclohexyl)methyl]butanoate Traditional Name: 3-keto-2-[(2-ketocyclohexyl)methyl]butyric acid (4-nitrobenzyl) ester Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1CCCCC1=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(CC1CCCCC1=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO6/c1-12(20)16(10-14-4-2-3-5-17(14)21)18(22)25-11-13-6-8-15(9-7-13)19(23)24/h6-9,14,16H,2-5,10-11H2,1H3