3-nitro-4-propan-2-yl-benzoic acid

Systemtic Name: 3-nitro-4-propan-2-yl-benzoic acid Openeye Name: 4-isopropyl-3-nitro-benzoic acid CAS Name: 3-nitro-4-propan-2-ylbenzoic acid IUPAC Name: 3-nitro-4-propan-2-ylbenzoic acid Traditional Name: 4-isopropyl-3-nitro-benzoic acid Formula: C10H11NO4 MolecularWeight: 209.19864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4/c1-6(2)8-4-3-7(10(12)13)5-9(8)11(14)15/h3-6H,1-2H3,(H,12,13)