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

Systemtic Name: ethyl 8-chloranyl-2-methyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: ethyl 8-chloro-2-methyl-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-chloro-2-methyl-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-2-methyl-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-chloro-2-methyl-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid ethyl ester Formula: C13H11ClN4O3 MolecularWeight: 306.70444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1C)C=C(C=C3)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1C)C=C(C=C3)Cl)[O-]

InChI

InChI=1S/C13H11ClN4O3/c1-3-21-13(19)11-7(2)15-17-10-6-8(14)4-5-9(10)18(20)16-12(11)17/h4-6H,3H2,1-2H3