[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-2-keto-ethyl] ester Formula: C19H16N2O8 MolecularWeight: 400.33894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)C2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)[C@H]2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O8/c1-11-8-12(6-7-13(11)21(25)26)19(24)28-10-17(22)20-18(23)16-9-27-14-4-2-3-5-15(14)29-16/h2-8,16H,9-10H2,1H3,(H,20,22,23)/t16-/m1/s1