methyl 2-(2-ethoxy-2-oxidanylidene-ethyl)peroxy-3-nitro-benzoate

Systemtic Name: methyl 2-(2-ethoxy-2-oxidanylidene-ethyl)peroxy-3-nitro-benzoate Openeye Name: methyl 2-(2-ethoxy-2-oxo-ethyl)peroxy-3-nitro-benzoate CAS Name: 2-(2-ethoxy-2-oxoethyl)dioxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-ethoxy-2-oxoethyl)peroxy-3-nitrobenzoate Traditional Name: 2-(2-ethoxy-2-keto-ethyl)peroxy-3-nitro-benzoic acid methyl ester Formula: C12H13NO8 MolecularWeight: 299.23352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COOC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC(=O)COOC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H13NO8/c1-3-19-10(14)7-20-21-11-8(12(15)18-2)5-4-6-9(11)13(16)17/h4-6H,3,7H2,1-2H3