1-[4-(3-methyl-4-nitro-phenyl)carbonyl-1,3-benzodioxol-5-yl]propan-2-one

Systemtic Name: 1-[4-(3-methyl-4-nitro-phenyl)carbonyl-1,3-benzodioxol-5-yl]propan-2-one Openeye Name: 1-[4-(3-methyl-4-nitro-benzoyl)-1,3-benzodioxol-5-yl]propan-2-one CAS Name: 1-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1,3-benzodioxol-5-yl]-2-propanone IUPAC Name: 1-[4-(3-methyl-4-nitrobenzoyl)-1,3-benzodioxol-5-yl]propan-2-one Traditional Name: 1-[4-(3-methyl-4-nitro-benzoyl)-1,3-benzodioxol-5-yl]acetone Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=C(C=CC3=C2OCO3)CC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=C(C=CC3=C2OCO3)CC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO6/c1-10-7-13(3-5-14(10)19(22)23)17(21)16-12(8-11(2)20)4-6-15-18(16)25-9-24-15/h3-7H,8-9H2,1-2H3