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

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [1-methyl-2-(methylamino)-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 [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-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 [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O7/c1-7(12(16)14-2)22-13(17)8-5-10-11(21-4-3-20-10)6-9(8)15(18)19/h5-7H,3-4H2,1-2H3,(H,14,16)