3-phenylpropyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: 3-phenylpropyl 5-nitro-2-oxidanyl-benzoate Openeye Name: 3-phenylpropyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid 3-phenylpropyl ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c18-15-9-8-13(17(20)21)11-14(15)16(19)22-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10H2