sodium 3-ethoxy-5-nitro-4-(phenylcarbonyl)benzoate

Systemtic Name: sodium 3-ethoxy-5-nitro-4-(phenylcarbonyl)benzoate Openeye Name: sodium 4-benzoyl-3-ethoxy-5-nitro-benzoate CAS Name: sodium 4-benzoyl-3-ethoxy-5-nitrobenzoate IUPAC Name: sodium 4-benzoyl-3-ethoxy-5-nitrobenzoate Traditional Name: sodium 4-benzoyl-3-ethoxy-5-nitro-benzoate Formula: C16H12NNaO6 MolecularWeight: 337.25935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C16H13NO6.Na/c1-2-23-13-9-11(16(19)20)8-12(17(21)22)14(13)15(18)10-6-4-3-5-7-10;/h3-9H,2H2,1H3,(H,19,20);/q;+1/p-1