(4-bromanyl-2,6-dimethyl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-nitrobenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-nitrobenzoate Traditional Name: 3-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/c1-9-6-12(16)7-10(2)14(9)21-15(18)11-4-3-5-13(8-11)17(19)20/h3-8H,1-2H3