3-oxidanylidenebutan-2-yl 4-bromanyl-3-nitro-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-bromanyl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C11H10BrNO5 MolecularWeight: 316.1048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10BrNO5/c1-6(14)7(2)18-11(15)8-3-4-9(12)10(5-8)13(16)17/h3-5,7H,1-2H3