[1-acetyloxy-7-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-9-oxidanylidene-xanthen-3-yl] ethanoate

Systemtic Name: [1-acetyloxy-7-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-9-oxidanylidene-xanthen-3-yl] ethanoate Openeye Name: [1-acetoxy-7-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazono)methyl]-9-oxo-xanthen-3-yl] acetate CAS Name: acetic acid [1-acetyloxy-7-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-9-oxo-3-xanthenyl] ester IUPAC Name: [1-acetyloxy-7-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-9-oxoxanthen-3-yl] acetate Traditional Name: acetic acid [1-acetoxy-7-[(E)-(2-imidazolin-2-ylhydrazono)methyl]-9-keto-xanthen-3-yl] ester Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)C=NNC4=NCCN4)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)/C=N/NC4=NCCN4)OC(=O)C

InChI

InChI=1S/C21H18N4O6/c1-11(26)29-14-8-17(30-12(2)27)19-18(9-14)31-16-4-3-13(7-15(16)20(19)28)10-24-25-21-22-5-6-23-21/h3-4,7-10H,5-6H2,1-2H3,(H2,22,23,25)/b24-10+