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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (2-amino-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 (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-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-amino-2-keto-1-methyl-ethyl) ester Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7/c1-6(11(13)15)21-12(16)7-4-9-10(20-3-2-19-9)5-8(7)14(17)18/h4-6H,2-3H2,1H3,(H2,13,15)