(2S)-2-acetyloxy-2-(3-chloranyl-5-nitro-phenyl)ethanoic acid

Systemtic Name: (2S)-2-acetyloxy-2-(3-chloranyl-5-nitro-phenyl)ethanoic acid Openeye Name: (2S)-2-acetoxy-2-(3-chloro-5-nitro-phenyl)acetic acid CAS Name: (2S)-2-acetyloxy-2-(3-chloro-5-nitrophenyl)acetic acid IUPAC Name: (2S)-2-acetyloxy-2-(3-chloro-5-nitrophenyl)acetic acid Traditional Name: (2S)-2-acetoxy-2-(3-chloro-5-nitro-phenyl)acetic acid Formula: C10H8ClNO6 MolecularWeight: 273.62662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClNO6/c1-5(13)18-9(10(14)15)6-2-7(11)4-8(3-6)12(16)17/h2-4,9H,1H3,(H,14,15)/t9-/m0/s1