(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C21H15NO7 MolecularWeight: 393.3463

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H15NO7/c23-18(15-6-5-13-3-1-2-4-14(13)9-15)12-29-21(24)16-10-19-20(28-8-7-27-19)11-17(16)22(25)26/h1-6,9-11H,7-8,12H2