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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC1=C(C2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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