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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 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-2-pyrrolidino-ethyl) ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C15H16N2O7/c18-14(16-3-1-2-4-16)9-24-15(19)10-7-12-13(23-6-5-22-12)8-11(10)17(20)21/h7-8H,1-6,9H2