3-chloranyl-4-(3-nitro-4-oxidanyl-phenyl)butan-2-one

Systemtic Name: 3-chloranyl-4-(3-nitro-4-oxidanyl-phenyl)butan-2-one Openeye Name: 3-chloro-4-(4-hydroxy-3-nitro-phenyl)butan-2-one CAS Name: 3-chloro-4-(4-hydroxy-3-nitrophenyl)-2-butanone IUPAC Name: 3-chloro-4-(4-hydroxy-3-nitrophenyl)butan-2-one Traditional Name: 3-chloro-4-(4-hydroxy-3-nitro-phenyl)butan-2-one Formula: C10H10ClNO4 MolecularWeight: 243.6437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10ClNO4/c1-6(13)8(11)4-7-2-3-10(14)9(5-7)12(15)16/h2-3,5,8,14H,4H2,1H3