3-bromanyl-4-methyl-5-nitro-benzoate

Systemtic Name: 3-bromanyl-4-methyl-5-nitro-benzoate Openeye Name: 3-bromo-4-methyl-5-nitro-benzoate CAS Name: 3-bromo-4-methyl-5-nitrobenzoate IUPAC Name: 3-bromo-4-methyl-5-nitrobenzoate Traditional Name: 3-bromo-4-methyl-5-nitro-benzoate Formula: C8H5BrNO4- MolecularWeight: 259.0336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1Br)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H6BrNO4/c1-4-6(9)2-5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)/p-1