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

Systemtic Name: ethyl 5-oxidanidyl-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: ethyl 5-oxido-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 5-oxido-8-phenoxy-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-oxido-8-phenoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 5-oxido-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid ethyl ester Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)OC4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)OC4=CC=CC=C4)[O-]

InChI

InChI=1S/C18H14N4O4/c1-2-25-18(23)14-11-19-21-16-10-13(26-12-6-4-3-5-7-12)8-9-15(16)22(24)20-17(14)21/h3-11H,2H2,1H3