methyl 4-(5-nitro-4-oxidanyl-pentyl)benzoate

Systemtic Name: methyl 4-(5-nitro-4-oxidanyl-pentyl)benzoate Openeye Name: methyl 4-(4-hydroxy-5-nitro-pentyl)benzoate CAS Name: 4-(4-hydroxy-5-nitropentyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-hydroxy-5-nitropentyl)benzoate Traditional Name: 4-(4-hydroxy-5-nitro-pentyl)benzoic acid methyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-19-13(16)11-7-5-10(6-8-11)3-2-4-12(15)9-14(17)18/h5-8,12,15H,2-4,9H2,1H3