N,N-dimethyl-2-[2-(5-nitro-3-phenylmethoxy-indazol-1-yl)ethoxy]ethanamine oxide

Systemtic Name: N,N-dimethyl-2-[2-(5-nitro-3-phenylmethoxy-indazol-1-yl)ethoxy]ethanamine oxide Openeye Name: 2-[2-(3-benzyloxy-5-nitro-indazol-1-yl)ethoxy]-N,N-dimethyl-ethanamine oxide CAS Name: N,N-dimethyl-2-[2-(5-nitro-3-phenylmethoxy-1-indazolyl)ethoxy]ethanamine oxide IUPAC Name: N,N-dimethyl-2-[2-(5-nitro-3-phenylmethoxyindazol-1-yl)ethoxy]ethanamine oxide Traditional Name: 2-[2-(3-benzoxy-5-nitro-indazol-1-yl)ethoxy]-N,N-dimethyl-ethanamine oxide Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)OCC3=CC=CC=C3)[O-]

Isomeric SMILES

C[N+](C)(CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)OCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H24N4O5/c1-24(2,27)11-13-28-12-10-22-19-9-8-17(23(25)26)14-18(19)20(21-22)29-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3