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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1C4=CC=CC=C4)C=C(C=C3)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1C4=CC=CC=C4)C=C(C=C3)Cl)[O-]

InChI

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