(2S)-2-(4-chloranyl-2-nitro-phenoxy)-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(4-chloranyl-2-nitro-phenoxy)-3-methyl-butanoic acid Openeye Name: (2S)-2-(4-chloro-2-nitro-phenoxy)-3-methyl-butanoic acid CAS Name: (2S)-2-(4-chloro-2-nitrophenoxy)-3-methylbutanoic acid IUPAC Name: (2S)-2-(4-chloro-2-nitrophenoxy)-3-methylbutanoic acid Traditional Name: (2S)-2-(4-chloro-2-nitro-phenoxy)-3-methyl-butyric acid Formula: C11H12ClNO5 MolecularWeight: 273.66968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)OC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H12ClNO5/c1-6(2)10(11(14)15)18-9-4-3-7(12)5-8(9)13(16)17/h3-6,10H,1-2H3,(H,14,15)/t10-/m0/s1