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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

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