(3-nitrophenyl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (3-nitrophenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (3-nitrophenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (3-nitrophenyl) ester Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrNO5/c1-2-3-9-23-16-8-7-12(10-15(16)18)17(20)24-14-6-4-5-13(11-14)19(21)22/h4-8,10-11H,2-3,9H2,1H3