(2-bromanyl-4-ethyl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-bromanyl-4-ethyl-phenyl) 3-nitrobenzoate Openeye Name: (2-bromo-4-ethyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-bromo-4-ethylphenyl) ester IUPAC Name: (2-bromo-4-ethylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-bromo-4-ethyl-phenyl) ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C15H12BrNO4/c1-2-10-6-7-14(13(16)8-10)21-15(18)11-4-3-5-12(9-11)17(19)20/h3-9H,2H2,1H3