2-methyl-6-nitro-benzoate

Systemtic Name: 2-methyl-6-nitro-benzoate Openeye Name: 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoate IUPAC Name: 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoate Formula: C8H6NO4- MolecularWeight: 180.13754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11)/p-1