3-nitro-4,5-bis(phenylmethoxy)benzoic acid

Systemtic Name: 3-nitro-4,5-bis(phenylmethoxy)benzoic acid Openeye Name: 3,4-dibenzyloxy-5-nitro-benzoic acid CAS Name: 3-nitro-4,5-bis(phenylmethoxy)benzoic acid IUPAC Name: 3-nitro-4,5-bis(phenylmethoxy)benzoic acid Traditional Name: 3,4-dibenzoxy-5-nitro-benzoic acid Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H17NO6/c23-21(24)17-11-18(22(25)26)20(28-14-16-9-5-2-6-10-16)19(12-17)27-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,23,24)