[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C20H20N2O7/c1-13(19(23)21-8-7-14-5-3-2-4-6-14)29-20(24)15-11-17-18(28-10-9-27-17)12-16(15)22(25)26/h2-6,11-13H,7-10H2,1H3,(H,21,23)/t13-/m1/s1