3-nitro-5-pentoxy-4-phenyl-benzoic acid

Systemtic Name: 3-nitro-5-pentoxy-4-phenyl-benzoic acid Openeye Name: 3-nitro-5-pentoxy-4-phenyl-benzoic acid CAS Name: 3-nitro-5-pentoxy-4-phenylbenzoic acid IUPAC Name: 3-nitro-5-pentoxy-4-phenylbenzoic acid Traditional Name: 3-amoxy-5-nitro-4-phenyl-benzoic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCOC1=CC(=CC(=C1C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H19NO5/c1-2-3-7-10-24-16-12-14(18(20)21)11-15(19(22)23)17(16)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,20,21)