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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-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 [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)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 [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O7 MolecularWeight: 338.31262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C15H18N2O7/c1-8(2)16-14(18)9(3)24-15(19)10-6-12-13(23-5-4-22-12)7-11(10)17(20)21/h6-9H,4-5H2,1-3H3,(H,16,18)/t9-/m0/s1