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

Systemtic Name: (3-nitrophenyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (3-nitrophenyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (3-nitrophenyl) ester Formula: C13H7BrN2O6 MolecularWeight: 367.10848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7BrN2O6/c14-11-5-4-8(6-12(11)16(20)21)13(17)22-10-3-1-2-9(7-10)15(18)19/h1-7H