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

Systemtic Name: 1-(7-methyl-3-oxidanidyl-6-phenylmethoxy-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Openeye Name: 1-(6-benzyloxy-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-phenylmethoxy-8-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-iumyl)ethanone IUPAC Name: 1-(7-methyl-3-oxido-6-phenylmethoxypyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Traditional Name: 1-(6-benzoxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1OCC3=CC=CC=C3)C=CC4=[N+](ON=C42)[O-])C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1OCC3=CC=CC=C3)C=CC4=[N+](ON=C42)[O-])C(=O)C

InChI

InChI=1S/C18H15N3O4/c1-11-16(12(2)22)17-14(8-9-15-18(17)19-25-21(15)23)20(11)24-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3