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

Systemtic Name: ethyl 5-oxidanidyl-8-phenylmethoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: ethyl 8-benzyloxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 5-oxido-8-phenylmethoxy-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-oxido-8-phenylmethoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-benzoxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid ethyl ester Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)OCC4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=C(C=C3)OCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C19H16N4O4/c1-2-26-19(24)15-11-20-22-17-10-14(27-12-13-6-4-3-5-7-13)8-9-16(17)23(25)21-18(15)22/h3-11H,2,12H2,1H3