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

Systemtic Name: ethyl 8-(diethylamino)-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: ethyl 8-(diethylamino)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-(diethylamino)-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-(diethylamino)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-(diethylamino)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid ethyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/c1-4-19(5-2)11-7-8-13-14(9-11)20-15(18-21(13)23)12(10-17-20)16(22)24-6-3/h7-10H,4-6H2,1-3H3