pyridin-4-ylmethyl 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate

Systemtic Name: pyridin-4-ylmethyl 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: 4-pyridylmethyl 8-chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-chloro-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl 8-chloro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid 4-pyridylmethyl ester Formula: C16H10ClN5O3 MolecularWeight: 355.7353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C(=O)OCC4=CC=NC=C4)N=[N+]2[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C(=O)OCC4=CC=NC=C4)N=[N+]2[O-]

InChI

InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2