2-(4-ethylphenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium

Systemtic Name: 2-(4-ethylphenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 2-(4-ethylphenyl)-4,6-dinitro-1-oxido-benzotriazol-1-ium CAS Name: 2-(4-ethylphenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium IUPAC Name: 2-(4-ethylphenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium Traditional Name: 2-(4-ethylphenyl)-4,6-dinitro-1-oxido-benzotriazol-1-ium Formula: C14H11N5O5 MolecularWeight: 329.26764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C(=CC(=CC3=[N+]2[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C(=CC(=CC3=[N+]2[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O5/c1-2-9-3-5-10(6-4-9)16-15-14-12(17(16)20)7-11(18(21)22)8-13(14)19(23)24/h3-8H,2H2,1H3