(6-nitro-1,3-benzodioxol-5-yl)methyl 9H-xanthene-9-carboxylate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 9H-xanthene-9-carboxylate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H15NO7 MolecularWeight: 405.357

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)[N+](=O)[O-]

InChI

InChI=1S/C22H15NO7/c24-22(27-11-13-9-19-20(29-12-28-19)10-16(13)23(25)26)21-14-5-1-3-7-17(14)30-18-8-4-2-6-15(18)21/h1-10,21H,11-12H2