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

Systemtic Name: (2-nitrophenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (2-nitrophenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2-nitrobenzyl) ester Formula: C14H9BrN2O6 MolecularWeight: 381.13506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN2O6/c15-11-6-5-9(7-13(11)17(21)22)14(18)23-8-10-3-1-2-4-12(10)16(19)20/h1-7H,8H2