1-(7-methoxy-6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine

Systemtic Name: 1-(7-methoxy-6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Openeye Name: 1-(7-methoxy-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine CAS Name: 1-(7-methoxy-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine IUPAC Name: 1-(7-methoxy-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Traditional Name: [2-amino-1-(7-methoxy-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethyl]amine Formula: C11H15N5O2 MolecularWeight: 249.2691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)[N+](=NC(=N2)C(CN)N)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1OC)[N+](=NC(=N2)C(CN)N)[O-]

InChI

InChI=1S/C11H15N5O2/c1-6-3-8-9(4-10(6)18-2)16(17)15-11(14-8)7(13)5-12/h3-4,7H,5,12-13H2,1-2H3