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

Systemtic Name: ethyl 8-morpholin-4-yl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: ethyl 8-morpholino-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-(4-morpholinyl)-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-morpholin-4-yl-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-morpholino-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid ethyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)N4CCOCC4)[O-]

Isomeric SMILES

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)N4CCOCC4)[O-]

InChI

InChI=1S/C16H17N5O4/c1-2-25-16(22)12-10-17-20-14-9-11(19-5-7-24-8-6-19)3-4-13(14)21(23)18-15(12)20/h3-4,9-10H,2,5-8H2,1H3