(2E)-2-[(2-chloranyl-3-nitro-phenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(2-chloranyl-3-nitro-phenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(2-chloro-3-nitro-phenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(2-chloro-3-nitrophenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(2-chloro-3-nitrophenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(2-chloro-3-nitro-phenyl)acrylic acid Formula: C11H8ClNO5 MolecularWeight: 269.63792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C(C(=CC=C1)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClNO5/c1-6(14)8(11(15)16)5-7-3-2-4-9(10(7)12)13(17)18/h2-5H,1H3,(H,15,16)/b8-5+