(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H13NO8 MolecularWeight: 383.30842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=O)C4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=O)C4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C19H13NO8/c21-15-7-17(28-16-4-2-1-3-14(15)16)19(22)26-9-12-6-13(20(23)24)5-11-8-25-10-27-18(11)12/h1-7H,8-10H2