sodium 3-methyl-4-nitro-benzoate

Systemtic Name: sodium 3-methyl-4-nitro-benzoate Openeye Name: sodium 3-methyl-4-nitro-benzoate CAS Name: sodium 3-methyl-4-nitrobenzoate IUPAC Name: sodium 3-methyl-4-nitrobenzoate Traditional Name: sodium 3-methyl-4-nitro-benzoate Formula: C8H6NNaO4 MolecularWeight: 203.12731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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