(2-bromanyl-4-methyl-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-bromo-4-methyl-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-bromo-4-methyl-phenyl) ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)Br

InChI

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