2-(7-chloranyl-1-oxidanidyl-1,2,3-benzotriazin-1-ium-4-yl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(7-chloranyl-1-oxidanidyl-1,2,3-benzotriazin-1-ium-4-yl)-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(7-chloro-1-oxido-1,2,3-benzotriazin-1-ium-4-yl)-5-methyl-1H-pyrazol-3-one CAS Name: 2-(7-chloro-1-oxido-1,2,3-benzotriazin-1-ium-4-yl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(7-chloro-1-oxido-1,2,3-benzotriazin-1-ium-4-yl)-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(7-chloro-1-oxido-1,2,3-benzotriazin-1-ium-4-yl)-5-methyl-3-pyrazolin-3-one Formula: C11H8ClN5O2 MolecularWeight: 277.66652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=NN=[N+](C3=C2C=CC(=C3)Cl)[O-]

Isomeric SMILES

CC1=CC(=O)N(N1)C2=NN=[N+](C3=C2C=CC(=C3)Cl)[O-]

InChI

InChI=1S/C11H8ClN5O2/c1-6-4-10(18)16(14-6)11-8-3-2-7(12)5-9(8)17(19)15-13-11/h2-5,14H,1H3