2-(1,3-benzodioxol-5-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone Formula: C15H11NO7 MolecularWeight: 317.25034

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO7/c17-11(3-8-1-2-13-14(4-8)23-7-22-13)9-5-10(16(20)21)15(19)12(18)6-9/h1-2,4-6,18-19H,3,7H2