2-[(6-chloranyl-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]-N,N-diethyl-ethanamine

Systemtic Name: 2-[(6-chloranyl-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]-N,N-diethyl-ethanamine Openeye Name: 2-[(6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]-N,N-diethyl-ethanamine CAS Name: 2-[(6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]-N,N-diethylethanamine IUPAC Name: 2-[(6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]-N,N-diethylethanamine Traditional Name: 2-[(6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]ethyl-diethyl-amine Formula: C13H18ClN5O2 MolecularWeight: 311.76732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN=C1N=[N+](C2=C(N1O)C=C(C=C2)Cl)[O-]

Isomeric SMILES

CCN(CC)CCN=C1N=[N+](C2=C(N1O)C=C(C=C2)Cl)[O-]

InChI

InChI=1S/C13H18ClN5O2/c1-3-17(4-2)8-7-15-13-16-19(21)11-6-5-10(14)9-12(11)18(13)20/h5-6,9,20H,3-4,7-8H2,1-2H3