7-hexoxy-5-(2-nitronaphthalen-1-yl)-7-aza-8-azoniabicyclo[4.2.0]octa-1(8),2,5-trien-4-one

Systemtic Name: 7-hexoxy-5-(2-nitronaphthalen-1-yl)-7-aza-8-azoniabicyclo[4.2.0]octa-1(8),2,5-trien-4-one Openeye Name: 7-hexoxy-5-(2-nitro-1-naphthyl)-7-aza-8-azoniabicyclo[4.2.0]octa-1(8),2,5-trien-4-one CAS Name: 7-hexoxy-5-(2-nitro-1-naphthalenyl)-7-aza-8-azoniabicyclo[4.2.0]octa-1(8),2,5-trien-4-one IUPAC Name: 7-hexoxy-5-(2-nitronaphthalen-1-yl)-7-aza-8-azoniabicyclo[4.2.0]octa-1(8),2,5-trien-4-one Traditional Name: 7-hexoxy-5-(2-nitro-1-naphthyl)-7-aza-8-azoniabicyclo[4.2.0]octa-1(8),2,5-trien-4-one Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCON1C2=C(C(=O)C=CC2=[NH+]1)C3=C(C=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCCCCCON1C2=C(C(=O)C=CC2=[NH+]1)C3=C(C=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c1-2-3-4-7-14-29-24-22-17(23-24)11-13-19(26)21(22)20-16-9-6-5-8-15(16)10-12-18(20)25(27)28/h5-6,8-13H,2-4,7,14H2,1H3/p+1