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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (2-morpholino-2-oxo-1-phenyl-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-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxo-1-phenylethyl) 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-morpholino-1-phenyl-ethyl) ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C21H20N2O8/c24-20(22-6-8-28-9-7-22)19(14-4-2-1-3-5-14)31-21(25)15-12-17-18(30-11-10-29-17)13-16(15)23(26)27/h1-5,12-13,19H,6-11H2