3-phenylbutyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: 3-phenylbutyl 5-nitro-2-oxidanyl-benzoate Openeye Name: 3-phenylbutyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid 3-phenylbutyl ester IUPAC Name: 3-phenylbutyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid 3-phenylbutyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-12(13-5-3-2-4-6-13)9-10-23-17(20)15-11-14(18(21)22)7-8-16(15)19/h2-8,11-12,19H,9-10H2,1H3