(2-bromanyl-4-chloranyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (2-bromanyl-4-chloranyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (2-bromo-4-chloro-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-bromo-4-chlorophenyl) ester IUPAC Name: (2-bromo-4-chlorophenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-bromo-4-chloro-phenyl) ester Formula: C13H6BrClN2O6 MolecularWeight: 401.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Br)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Br)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H6BrClN2O6/c14-11-5-8(15)1-2-12(11)23-13(18)7-3-9(16(19)20)6-10(4-7)17(21)22/h1-6H