bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitro-phenyl]-2H-1,2,3,4-tetrazol-3-ium; chloride

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitro-phenyl]-2H-1,2,3,4-tetrazol-3-ium; chloride Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitro-phenyl]-2H-tetrazol-3-ium; chloride CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[2-(3,4-dimethoxy-1-biphenylenyl)-3-nitrophenyl]-2H-tetrazol-3-ium; chloride IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitrophenyl]-2H-tetrazol-3-ium; chloride Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitro-phenyl]-2H-tetrazol-3-ium; chloride Formula: C27H20ClN5O4 MolecularWeight: 513.9318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C3=CC=CC=C32)C(=C1)C4=C(C=CC=C4[N+](=O)[O-])[N+]5=NC=NN5)OC.C1=CC2=C1C=C2.[Cl-]

Isomeric SMILES

COC1=C(C2=C(C3=CC=CC=C32)C(=C1)C4=C(C=CC=C4[N+](=O)[O-])[N+]5=NC=NN5)OC.C1=CC2=C1C=C2.[Cl-]

InChI

InChI=1S/C21H15N5O4.C6H4.ClH/c1-29-17-10-14(18-12-6-3-4-7-13(12)20(18)21(17)30-2)19-15(25-23-11-22-24-25)8-5-9-16(19)26(27)28;1-2-6-4-3-5(1)6;/h3-11H,1-2H3;1-4H;1H