(2S)-2-(2-chloranyl-4-nitro-phenoxy)-3-methyl-butanoate

Systemtic Name: (2S)-2-(2-chloranyl-4-nitro-phenoxy)-3-methyl-butanoate Openeye Name: (2S)-2-(2-chloro-4-nitro-phenoxy)-3-methyl-butanoate CAS Name: (2S)-2-(2-chloro-4-nitrophenoxy)-3-methylbutanoate IUPAC Name: (2S)-2-(2-chloro-4-nitrophenoxy)-3-methylbutanoate Traditional Name: (2S)-2-(2-chloro-4-nitro-phenoxy)-3-methyl-butyrate Formula: C11H11ClNO5- MolecularWeight: 272.66174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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