4-phenylbutyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: 4-phenylbutyl 5-nitro-2-oxidanyl-benzoate Openeye Name: 4-phenylbutyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid 4-phenylbutyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17NO5/c19-16-10-9-14(18(21)22)12-15(16)17(20)23-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2