1-[5-methoxy-2-nitro-4-(3-oxidanylpropoxy)phenyl]ethanone

Systemtic Name: 1-[5-methoxy-2-nitro-4-(3-oxidanylpropoxy)phenyl]ethanone Openeye Name: 1-[4-(3-hydroxypropoxy)-5-methoxy-2-nitro-phenyl]ethanone CAS Name: 1-[4-(3-hydroxypropoxy)-5-methoxy-2-nitrophenyl]ethanone IUPAC Name: 1-[4-(3-hydroxypropoxy)-5-methoxy-2-nitrophenyl]ethanone Traditional Name: 1-[4-(3-hydroxypropoxy)-5-methoxy-2-nitro-phenyl]ethanone Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCCCO)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCCCO)OC

InChI

InChI=1S/C12H15NO6/c1-8(15)9-6-11(18-2)12(19-5-3-4-14)7-10(9)13(16)17/h6-7,14H,3-5H2,1-2H3