2-[2-oxidanidyl-4,9-bis(oxidanylidene)benzo[f]benzotriazol-2-ium-3-yl]ethyl 4-morpholin-4-ylbenzoate

Systemtic Name: 2-[2-oxidanidyl-4,9-bis(oxidanylidene)benzo[f]benzotriazol-2-ium-3-yl]ethyl 4-morpholin-4-ylbenzoate Openeye Name: 2-(2-oxido-4,9-dioxo-benzo[f]benzotriazol-2-ium-3-yl)ethyl 4-morpholinobenzoate CAS Name: 4-(4-morpholinyl)benzoic acid 2-(2-oxido-4,9-dioxo-3-benzo[f]benzotriazol-2-iumyl)ethyl ester IUPAC Name: 2-(2-oxido-4,9-dioxobenzo[f]benzotriazol-2-ium-3-yl)ethyl 4-morpholin-4-ylbenzoate Traditional Name: 4-morpholinobenzoic acid 2-(4,9-diketo-2-oxido-benzo[f]benzotriazol-2-ium-3-yl)ethyl ester Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)OCCN3C4=C(C(=O)C5=CC=CC=C5C4=O)N=[N+]3[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)OCCN3C4=C(C(=O)C5=CC=CC=C5C4=O)N=[N+]3[O-]

InChI

InChI=1S/C23H20N4O6/c28-21-17-3-1-2-4-18(17)22(29)20-19(21)24-27(31)26(20)11-14-33-23(30)15-5-7-16(8-6-15)25-9-12-32-13-10-25/h1-8H,9-14H2