(4-bromanyl-2,6-dimethyl-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C16H14BrNO4 MolecularWeight: 364.19066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO4/c1-9-6-12(4-5-14(9)18(20)21)16(19)22-15-10(2)7-13(17)8-11(15)3/h4-8H,1-3H3