[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N2O8/c1-11(18(22)20-12-3-5-16-17(9-12)28-8-7-27-16)29-19(23)14-10-13(21(24)25)4-6-15(14)26-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)/t11-/m1/s1