methyl 4-[4-nitro-1,3-bis(oxidanyl)butyl]benzoate

Systemtic Name: methyl 4-[4-nitro-1,3-bis(oxidanyl)butyl]benzoate Openeye Name: methyl 4-(1,3-dihydroxy-4-nitro-butyl)benzoate CAS Name: 4-(1,3-dihydroxy-4-nitrobutyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-dihydroxy-4-nitrobutyl)benzoate Traditional Name: 4-(1,3-dihydroxy-4-nitro-butyl)benzoic acid methyl ester Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6/c1-19-12(16)9-4-2-8(3-5-9)11(15)6-10(14)7-13(17)18/h2-5,10-11,14-15H,6-7H2,1H3