2-(2-methyl-4-oxidanylidene-oxetan-2-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(2-methyl-4-oxidanylidene-oxetan-2-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(2-methyl-4-oxo-oxetan-2-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2-methyl-4-oxo-2-oxetanyl)ethyl ester IUPAC Name: 2-(2-methyl-4-oxooxetan-2-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(4-keto-2-methyl-oxetan-2-yl)ethyl ester Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)O1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1(CC(=O)O1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO6/c1-13(8-11(15)20-13)6-7-19-12(16)9-2-4-10(5-3-9)14(17)18/h2-5H,6-8H2,1H3