3-nitro-5-[[4-(phenylcarbonyl)phenyl]methoxy]benzoic acid

Systemtic Name: 3-nitro-5-[[4-(phenylcarbonyl)phenyl]methoxy]benzoic acid Openeye Name: 3-[(4-benzoylphenyl)methoxy]-5-nitro-benzoic acid CAS Name: 3-[(4-benzoylphenyl)methoxy]-5-nitrobenzoic acid IUPAC Name: 3-[(4-benzoylphenyl)methoxy]-5-nitrobenzoic acid Traditional Name: 3-(4-benzoylbenzyl)oxy-5-nitro-benzoic acid Formula: C21H15NO6 MolecularWeight: 377.3469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COC3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COC3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H15NO6/c23-20(15-4-2-1-3-5-15)16-8-6-14(7-9-16)13-28-19-11-17(21(24)25)10-18(12-19)22(26)27/h1-12H,13H2,(H,24,25)