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

Systemtic Name: propan-2-yl 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C13H11ClN4O3 MolecularWeight: 306.70444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)Cl)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)Cl)[O-]

InChI

InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3