ethyl 4-(4-nitro-3-oxidanyl-butyl)benzoate

Systemtic Name: ethyl 4-(4-nitro-3-oxidanyl-butyl)benzoate Openeye Name: ethyl 4-(3-hydroxy-4-nitro-butyl)benzoate CAS Name: 4-(3-hydroxy-4-nitrobutyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxy-4-nitrobutyl)benzoate Traditional Name: 4-(3-hydroxy-4-nitro-butyl)benzoic acid ethyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-2-19-13(16)11-6-3-10(4-7-11)5-8-12(15)9-14(17)18/h3-4,6-7,12,15H,2,5,8-9H2,1H3