2-ethyl-4-nitro-3-propan-2-yloxy-benzoic acid

Systemtic Name: 2-ethyl-4-nitro-3-propan-2-yloxy-benzoic acid Openeye Name: 2-ethyl-3-isopropoxy-4-nitro-benzoic acid CAS Name: 2-ethyl-4-nitro-3-propan-2-yloxybenzoic acid IUPAC Name: 2-ethyl-4-nitro-3-propan-2-yloxybenzoic acid Traditional Name: 2-ethyl-3-isopropoxy-4-nitro-benzoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1OC(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1OC(C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H15NO5/c1-4-8-9(12(14)15)5-6-10(13(16)17)11(8)18-7(2)3/h5-7H,4H2,1-3H3,(H,14,15)