1-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6/c1-10-6-12(3-4-13(10)17(19)20)21-8-14(18)11-2-5-15-16(7-11)23-9-22-15/h2-7H,8-9H2,1H3