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

Systemtic Name: 1-phenylethyl 8-chloranyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: 1-phenylethyl 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 1-phenylethyl ester IUPAC Name: 1-phenylethyl 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 1-phenylethyl ester Formula: C18H13ClN4O3 MolecularWeight: 368.77382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3