(4-bromanyl-2,6-dimethyl-phenyl) 2-nitrobenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 2-nitrobenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-])C)Br

InChI

InChI=1S/C15H12BrNO4/c1-9-7-11(16)8-10(2)14(9)21-15(18)12-5-3-4-6-13(12)17(19)20/h3-8H,1-2H3