5-acetamido-N-(2-diethylaminoethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-8-carboxamide

Systemtic Name: 5-acetamido-N-(2-diethylaminoethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-8-carboxamide Openeye Name: 5-acetamido-N-(2-diethylaminoethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-8-carboxamide CAS Name: 5-acetamido-N-(2-diethylaminoethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-8-carboxamide IUPAC Name: 5-acetamido-N-(2-diethylaminoethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-8-carboxamide Traditional Name: 5-acetamido-N-(2-diethylaminoethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-8-carboxamide Formula: C17H24N4O6 MolecularWeight: 380.39566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C2=C1OCCO2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C2=C1OCCO2)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O6/c1-4-20(5-2)7-6-18-17(23)12-10-13(21(24)25)14(19-11(3)22)16-15(12)26-8-9-27-16/h10H,4-9H2,1-3H3,(H,18,23)(H,19,22)