3-methyl-6-nitro-2-oxidanidyl-1,2-benzoxazol-2-ium

Systemtic Name: 3-methyl-6-nitro-2-oxidanidyl-1,2-benzoxazol-2-ium Openeye Name: 3-methyl-6-nitro-2-oxido-1,2-benzoxazol-2-ium CAS Name: 3-methyl-6-nitro-2-oxido-1,2-benzoxazol-2-ium IUPAC Name: 3-methyl-6-nitro-2-oxido-1,2-benzoxazol-2-ium Traditional Name: 3-methyl-6-nitro-2-oxido-indoxazen-2-ium Formula: C8H6N2O4 MolecularWeight: 194.14424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](OC2=C1C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=[N+](OC2=C1C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C8H6N2O4/c1-5-7-3-2-6(9(11)12)4-8(7)14-10(5)13/h2-4H,1H3