1-(3-chloranyl-2-methyl-6-nitro-phenyl)butan-2-one

Systemtic Name: 1-(3-chloranyl-2-methyl-6-nitro-phenyl)butan-2-one Openeye Name: 1-(3-chloro-2-methyl-6-nitro-phenyl)butan-2-one CAS Name: 1-(3-chloro-2-methyl-6-nitrophenyl)-2-butanone IUPAC Name: 1-(3-chloro-2-methyl-6-nitrophenyl)butan-2-one Traditional Name: 1-(3-chloro-2-methyl-6-nitro-phenyl)butan-2-one Formula: C11H12ClNO3 MolecularWeight: 241.67088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=C(C=CC(=C1C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)CC1=C(C=CC(=C1C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H12ClNO3/c1-3-8(14)6-9-7(2)10(12)4-5-11(9)13(15)16/h4-5H,3,6H2,1-2H3