5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-methyl-4-oxidanidyl-1,2,4-triazin-4-ium

Systemtic Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-methyl-4-oxidanidyl-1,2,4-triazin-4-ium Openeye Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-methyl-4-oxido-1,2,4-triazin-4-ium CAS Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-methyl-4-oxido-1,2,4-triazin-4-ium IUPAC Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-methyl-4-oxido-1,2,4-triazin-4-ium Traditional Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-methyl-4-oxido-1,2,4-triazin-4-ium Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C[N+](=C1C=CC2=CC3=C(C=C2)OCO3)[O-]

Isomeric SMILES

CC1=NN=C[N+](=C1/C=C/C2=CC3=C(C=C2)OCO3)[O-]

InChI

InChI=1S/C13H11N3O3/c1-9-11(16(17)7-14-15-9)4-2-10-3-5-12-13(6-10)19-8-18-12/h2-7H,8H2,1H3/b4-2+