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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H15NO8 MolecularWeight: 397.335

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO8/c22-17-7-16(18(23)15-4-2-1-3-14(15)17)20(24)28-9-12-6-13(21(25)26)5-11-8-27-10-29-19(11)12/h1-7,22-23H,8-10H2