1-(7-methyl-3-oxidanidyl-6-prop-2-enoxy-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone

Systemtic Name: 1-(7-methyl-3-oxidanidyl-6-prop-2-enoxy-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Openeye Name: 1-(6-allyloxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone CAS Name: 1-(7-methyl-3-oxido-6-prop-2-enoxy-8-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-iumyl)ethanone IUPAC Name: 1-(7-methyl-3-oxido-6-prop-2-enoxypyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Traditional Name: 1-(6-allyloxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1OCC=C)C=CC3=[N+](ON=C32)[O-])C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1OCC=C)C=CC3=[N+](ON=C32)[O-])C(=O)C

InChI

InChI=1S/C14H13N3O4/c1-4-7-20-16-8(2)12(9(3)18)13-10(16)5-6-11-14(13)15-21-17(11)19/h4-6H,1,7H2,2-3H3