4,6-dinitro-2-oxidanidyl-3-phenyl-1,2-benzoxazol-2-ium

Systemtic Name: 4,6-dinitro-2-oxidanidyl-3-phenyl-1,2-benzoxazol-2-ium Openeye Name: 4,6-dinitro-2-oxido-3-phenyl-1,2-benzoxazol-2-ium CAS Name: 4,6-dinitro-2-oxido-3-phenyl-1,2-benzoxazol-2-ium IUPAC Name: 4,6-dinitro-2-oxido-3-phenyl-1,2-benzoxazol-2-ium Traditional Name: 4,6-dinitro-2-oxido-3-phenyl-indoxazen-2-ium Formula: C13H7N3O6 MolecularWeight: 301.21118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](OC3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](OC3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H7N3O6/c17-14(18)9-6-10(15(19)20)12-11(7-9)22-16(21)13(12)8-4-2-1-3-5-8/h1-7H