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

Systemtic Name: ethyl 5-oxidanidyl-2-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: ethyl 5-oxido-2-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 5-oxido-2-phenyl-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-oxido-2-phenylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 5-oxido-2-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid ethyl ester Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=[N+](C3=CC=CC=C3N2N=C1C4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC(=O)C1=C2N=[N+](C3=CC=CC=C3N2N=C1C4=CC=CC=C4)[O-]

InChI

InChI=1S/C18H14N4O3/c1-2-25-18(23)15-16(12-8-4-3-5-9-12)19-21-13-10-6-7-11-14(13)22(24)20-17(15)21/h3-11H,2H2,1H3