3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]benzoate

Systemtic Name: 3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]benzoate Openeye Name: 3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]benzoate CAS Name: 3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]benzoate IUPAC Name: 3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]benzoate Traditional Name: 3-bromo-5-ethoxy-4-(4-nitrobenzyl)oxy-benzoate Formula: C16H13BrNO6- MolecularWeight: 395.18152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrNO6/c1-2-23-14-8-11(16(19)20)7-13(17)15(14)24-9-10-3-5-12(6-4-10)18(21)22/h3-8H,2,9H2,1H3,(H,19,20)/p-1