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

Systemtic Name: ethyl 8-ethoxy-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: ethyl 8-ethoxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-ethoxy-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-ethoxy-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-ethoxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid ethyl ester Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)C(=O)OCC)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)C(=O)OCC)[O-]

InChI

InChI=1S/C14H14N4O4/c1-3-21-9-5-6-11-12(7-9)17-13(16-18(11)20)10(8-15-17)14(19)22-4-2/h5-8H,3-4H2,1-2H3