3-(4-butyl-2-nitro-phenyl)-2-chloranyl-propanoic acid

Systemtic Name: 3-(4-butyl-2-nitro-phenyl)-2-chloranyl-propanoic acid Openeye Name: 3-(4-butyl-2-nitro-phenyl)-2-chloro-propanoic acid CAS Name: 3-(4-butyl-2-nitrophenyl)-2-chloropropanoic acid IUPAC Name: 3-(4-butyl-2-nitrophenyl)-2-chloropropanoic acid Traditional Name: 3-(4-butyl-2-nitro-phenyl)-2-chloro-propionic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)CC(C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C(C=C1)CC(C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClNO4/c1-2-3-4-9-5-6-10(8-11(14)13(16)17)12(7-9)15(18)19/h5-7,11H,2-4,8H2,1H3,(H,16,17)