3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitro-phenyl]-2H-1,2,3,4-tetrazol-3-ium

Systemtic Name: 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitro-phenyl]-2H-1,2,3,4-tetrazol-3-ium Openeye Name: 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitro-phenyl]-2H-tetrazol-3-ium CAS Name: 3-[2-(3,4-dimethoxy-1-biphenylenyl)-3-nitrophenyl]-2H-tetrazol-3-ium IUPAC Name: 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitrophenyl]-2H-tetrazol-3-ium Traditional Name: 3-[2-(3,4-dimethoxybiphenylen-1-yl)-3-nitro-phenyl]-2H-tetrazol-3-ium Formula: C21H16N5O4+ MolecularWeight: 402.38284

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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

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

InChI

InChI=1S/C21H15N5O4/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/h3-11H,1-2H3/p+1