sodium 3-(2-methylpropoxy)-5-nitro-4-(phenylcarbonyl)benzoate

Systemtic Name: sodium 3-(2-methylpropoxy)-5-nitro-4-(phenylcarbonyl)benzoate Openeye Name: sodium 4-benzoyl-3-isobutoxy-5-nitro-benzoate CAS Name: sodium 4-benzoyl-3-(2-methylpropoxy)-5-nitrobenzoate IUPAC Name: sodium 4-benzoyl-3-(2-methylpropoxy)-5-nitrobenzoate Traditional Name: sodium 4-benzoyl-3-isobutoxy-5-nitro-benzoate Formula: C18H16NNaO6 MolecularWeight: 365.31251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C18H17NO6.Na/c1-11(2)10-25-15-9-13(18(21)22)8-14(19(23)24)16(15)17(20)12-6-4-3-5-7-12;/h3-9,11H,10H2,1-2H3,(H,21,22);/q;+1/p-1