1-[6-(4-nitrophenyl)carbonyl-1,3-benzodioxol-5-yl]propan-2-one

Systemtic Name: 1-[6-(4-nitrophenyl)carbonyl-1,3-benzodioxol-5-yl]propan-2-one Openeye Name: 1-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]propan-2-one CAS Name: 1-[6-[(4-nitrophenyl)-oxomethyl]-1,3-benzodioxol-5-yl]-2-propanone IUPAC Name: 1-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]propan-2-one Traditional Name: 1-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetone Formula: C17H13NO6 MolecularWeight: 327.28822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCO2

InChI

InChI=1S/C17H13NO6/c1-10(19)6-12-7-15-16(24-9-23-15)8-14(12)17(20)11-2-4-13(5-3-11)18(21)22/h2-5,7-8H,6,9H2,1H3