2-(5-methyl-3-oxidanylidene-4-oxabicyclo[3.2.0]heptan-2-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(5-methyl-3-oxidanylidene-4-oxabicyclo[3.2.0]heptan-2-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(5-methyl-3-oxo-4-oxabicyclo[3.2.0]heptan-2-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(5-methyl-3-oxo-4-oxabicyclo[3.2.0]heptan-2-yl)ethyl ester IUPAC Name: 2-(5-methyl-3-oxo-4-oxabicyclo[3.2.0]heptan-2-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(3-keto-5-methyl-4-oxabicyclo[3.2.0]heptan-2-yl)ethyl ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC1C(C(=O)O2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC12CCC1C(C(=O)O2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO6/c1-16-8-6-13(16)12(15(19)23-16)7-9-22-14(18)10-2-4-11(5-3-10)17(20)21/h2-5,12-13H,6-9H2,1H3