3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]benzoic acid

Systemtic Name: 3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]benzoic acid Openeye Name: 3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]benzoic acid CAS Name: 3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]benzoic acid IUPAC Name: 3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]benzoic acid Traditional Name: 3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-benzoic acid Formula: C15H12BrNO6 MolecularWeight: 382.16288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrNO6/c1-22-13-7-10(15(18)19)6-12(16)14(13)23-8-9-2-4-11(5-3-9)17(20)21/h2-7H,8H2,1H3,(H,18,19)