2-tert-butyl-4-chloranyl-3-nitro-benzoic acid

Systemtic Name: 2-tert-butyl-4-chloranyl-3-nitro-benzoic acid Openeye Name: 2-tert-butyl-4-chloro-3-nitro-benzoic acid CAS Name: 2-tert-butyl-4-chloro-3-nitrobenzoic acid IUPAC Name: 2-tert-butyl-4-chloro-3-nitrobenzoic acid Traditional Name: 2-tert-butyl-4-chloro-3-nitro-benzoic acid Formula: C11H12ClNO4 MolecularWeight: 257.67028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO4/c1-11(2,3)8-6(10(14)15)4-5-7(12)9(8)13(16)17/h4-5H,1-3H3,(H,14,15)