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

Systemtic Name: ethyl 8-chloranyl-5-oxidanidyl-3-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-2-carboxylate Openeye Name: ethyl 8-chloro-5-oxido-3-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-2-carboxylate CAS Name: 8-chloro-5-oxido-3-phenyl-2-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-5-oxido-3-phenylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-2-carboxylate Traditional Name: 8-chloro-5-oxido-3-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-2-carboxylic acid ethyl ester Formula: C18H13ClN4O3 MolecularWeight: 368.77382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2C3=C(C=CC(=C3)Cl)[N+](=NC2=C1C4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC(=O)C1=NN2C3=C(C=CC(=C3)Cl)[N+](=NC2=C1C4=CC=CC=C4)[O-]

InChI

InChI=1S/C18H13ClN4O3/c1-2-26-18(24)16-15(11-6-4-3-5-7-11)17-21-23(25)13-9-8-12(19)10-14(13)22(17)20-16/h3-10H,2H2,1H3