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

Systemtic Name: (4-chlorophenyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (4-chlorophenyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (4-chlorophenyl) ester Formula: C13H7BrClNO4 MolecularWeight: 356.55598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H7BrClNO4/c14-11-6-1-8(7-12(11)16(18)19)13(17)20-10-4-2-9(15)3-5-10/h1-7H