3-(chloromethyl)-4-(4-nitrophenyl)-4-oxidanyl-butan-2-one

Systemtic Name: 3-(chloromethyl)-4-(4-nitrophenyl)-4-oxidanyl-butan-2-one Openeye Name: 3-(chloromethyl)-4-hydroxy-4-(4-nitrophenyl)butan-2-one CAS Name: 3-(chloromethyl)-4-hydroxy-4-(4-nitrophenyl)-2-butanone IUPAC Name: 3-(chloromethyl)-4-hydroxy-4-(4-nitrophenyl)butan-2-one Traditional Name: 3-(chloromethyl)-4-hydroxy-4-(4-nitrophenyl)butan-2-one Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO4/c1-7(14)10(6-12)11(15)8-2-4-9(5-3-8)13(16)17/h2-5,10-11,15H,6H2,1H3