(phenylmethyl) 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: benzyl 8-chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-chloro-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-chloro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid benzyl ester Formula: C17H11ClN4O3 MolecularWeight: 354.74724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C3N=[N+](C4=C(N3N=C2)C=C(C=C4)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C3N=[N+](C4=C(N3N=C2)C=C(C=C4)Cl)[O-]

InChI

InChI=1S/C17H11ClN4O3/c18-12-6-7-14-15(8-12)21-16(20-22(14)24)13(9-19-21)17(23)25-10-11-4-2-1-3-5-11/h1-9H,10H2