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

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-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=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)C)[N+](=O)[O-]

InChI

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