3-[(2-chloranyl-6-nitro-phenyl)-oxidanyl-methyl]but-3-en-2-one

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)-oxidanyl-methyl]but-3-en-2-one Openeye Name: 3-[(2-chloro-6-nitro-phenyl)-hydroxy-methyl]but-3-en-2-one CAS Name: 3-[(2-chloro-6-nitrophenyl)-hydroxymethyl]-3-buten-2-one IUPAC Name: 3-[(2-chloro-6-nitrophenyl)-hydroxymethyl]but-3-en-2-one Traditional Name: 3-[(2-chloro-6-nitro-phenyl)-hydroxy-methyl]but-3-en-2-one Formula: C11H10ClNO4 MolecularWeight: 255.6544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C)C(C1=C(C=CC=C1Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)C(=C)C(C1=C(C=CC=C1Cl)[N+](=O)[O-])O

InChI

InChI=1S/C11H10ClNO4/c1-6(7(2)14)11(15)10-8(12)4-3-5-9(10)13(16)17/h3-5,11,15H,1H2,2H3