N-(4-methoxy-2-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(4-methoxy-2-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-(4-methoxy-2-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(4-methoxy-2-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: (4-methoxy-2-nitro-phenyl)-(4-nitrobenzofurazan-5-yl)amine Formula: C13H9N5O6 MolecularWeight: 331.24046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O6/c1-23-7-2-3-8(11(6-7)17(19)20)14-10-5-4-9-12(16-24-15-9)13(10)18(21)22/h2-6,14H,1H3