5-nitro-N,N-bis(oxidanyl)-3-(2H-pyrrol-5-yl)-1,3-benzoxazol-3-ium-2-amine

Systemtic Name: 5-nitro-N,N-bis(oxidanyl)-3-(2H-pyrrol-5-yl)-1,3-benzoxazol-3-ium-2-amine Openeye Name: N,N-dihydroxy-5-nitro-3-(2H-pyrrol-5-yl)-1,3-benzoxazol-3-ium-2-amine CAS Name: N,N-dihydroxy-5-nitro-3-(2H-pyrrol-5-yl)-1,3-benzoxazol-3-ium-2-amine IUPAC Name: N,N-dihydroxy-5-nitro-3-(2H-pyrrol-5-yl)-1,3-benzoxazol-3-ium-2-amine Traditional Name: dihydroxy-[5-nitro-3-(2H-pyrrol-5-yl)-1,3-benzoxazol-3-ium-2-yl]amine Formula: C11H9N4O5+ MolecularWeight: 277.21296

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=N1)[N+]2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])N(O)O

Isomeric SMILES

C1C=CC(=N1)[N+]2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])N(O)O

InChI

InChI=1S/C11H9N4O5/c16-14(17)7-3-4-9-8(6-7)13(10-2-1-5-12-10)11(20-9)15(18)19/h1-4,6,18-19H,5H2/q+1