(E)-1-(4-nitrophenyl)-3-(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-nitrophenyl)-3-(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-nitrophenyl)-3-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one CAS Name: (E)-1-(4-nitrophenyl)-3-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(4-nitrophenyl)-3-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-nitrophenyl)-3-(3-oxidobenzofurazan-3-ium-5-yl)prop-2-en-1-one Formula: C15H9N3O5 MolecularWeight: 311.24906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=CC3=[N+](ON=C3C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C/C2=CC3=[N+](ON=C3C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O5/c19-15(11-3-5-12(6-4-11)17(20)21)8-2-10-1-7-13-14(9-10)18(22)23-16-13/h1-9H/b8-2+