(4-propanoylphenyl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-propanoylphenyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (4-propanoylphenyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (4-propionylphenyl) ester Formula: C16H12BrNO5 MolecularWeight: 378.17418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO5/c1-2-15(19)10-3-6-12(7-4-10)23-16(20)11-5-8-13(17)14(9-11)18(21)22/h3-9H,2H2,1H3