3-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4-oxidanyl-butan-2-one

Systemtic Name: 3-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4-oxidanyl-butan-2-one Openeye Name: 4-hydroxy-3-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)butan-2-one CAS Name: 4-hydroxy-3-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-butanone IUPAC Name: 4-hydroxy-3-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)butan-2-one Traditional Name: 4-hydroxy-3-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)butan-2-one Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O)C(=O)C

Isomeric SMILES

CC(C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O)C(=O)C

InChI

InChI=1S/C12H13NO6/c1-6(7(2)14)12(15)8-3-10-11(19-5-18-10)4-9(8)13(16)17/h3-4,6,12,15H,5H2,1-2H3