methyl 3-nitro-4-(3-oxidanylpropoxycarbonyloxymethyl)benzoate

Systemtic Name: methyl 3-nitro-4-(3-oxidanylpropoxycarbonyloxymethyl)benzoate Openeye Name: methyl 4-(3-hydroxypropoxycarbonyloxymethyl)-3-nitro-benzoate CAS Name: 4-[[3-hydroxypropoxy(oxo)methoxy]methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(3-hydroxypropoxycarbonyloxymethyl)-3-nitrobenzoate Traditional Name: 4-(3-hydroxypropoxycarbonyloxymethyl)-3-nitro-benzoic acid methyl ester Formula: C13H15NO8 MolecularWeight: 313.2601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO8/c1-20-12(16)9-3-4-10(11(7-9)14(18)19)8-22-13(17)21-6-2-5-15/h3-4,7,15H,2,5-6,8H2,1H3