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

Systemtic Name: oxolan-3-ylmethyl 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: tetrahydrofuran-3-ylmethyl 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 3-oxolanylmethyl ester IUPAC Name: oxolan-3-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 tetrahydrofuran-3-ylmethyl ester Formula: C15H13ClN4O4 MolecularWeight: 348.74112

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1COC(=O)C2=C3N=[N+](C4=C(N3N=C2)C=C(C=C4)Cl)[O-]

Isomeric SMILES

C1COCC1COC(=O)C2=C3N=[N+](C4=C(N3N=C2)C=C(C=C4)Cl)[O-]

InChI

InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2