ethyl 5-azanyl-1-(7-chloranyl-1-oxidanidyl-2H-1,2,3-benzotriazin-1-ium-3-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(7-chloranyl-1-oxidanidyl-2H-1,2,3-benzotriazin-1-ium-3-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(7-chloro-1-oxido-2H-1,2,3-benzotriazin-1-ium-3-yl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(7-chloro-1-oxido-2H-1,2,3-benzotriazin-1-ium-3-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(7-chloro-1-oxido-2H-1,2,3-benzotriazin-1-ium-3-yl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(7-chloro-1-oxido-2H-1,2,3-benzotriazin-1-ium-3-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H13ClN6O3 MolecularWeight: 336.73372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)N2C=C3C=CC(=CC3=[N+](N2)[O-])Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)N2C=C3C=CC(=CC3=[N+](N2)[O-])Cl)N

InChI

InChI=1S/C13H13ClN6O3/c1-2-23-13(21)10-6-16-19(12(10)15)18-7-8-3-4-9(14)5-11(8)20(22)17-18/h3-7,17H,2,15H2,1H3