(1-oxidanylidene-1-phenyl-butan-2-yl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 4-bromanyl-3-nitro-benzoate Openeye Name: 1-benzoylpropyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid 1-benzoylpropyl ester Formula: C17H14BrNO5 MolecularWeight: 392.20076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO5/c1-2-15(16(20)11-6-4-3-5-7-11)24-17(21)12-8-9-13(18)14(10-12)19(22)23/h3-10,15H,2H2,1H3