5-(4-methylpiperazin-1-yl)carbonyl-6,7-dinitro-3,4a-dihydro-2H-1,4-benzodioxine-5-carboxamide

Systemtic Name: 5-(4-methylpiperazin-1-yl)carbonyl-6,7-dinitro-3,4a-dihydro-2H-1,4-benzodioxine-5-carboxamide Openeye Name: 5-(4-methylpiperazine-1-carbonyl)-6,7-dinitro-3,4a-dihydro-2H-1,4-benzodioxine-5-carboxamide CAS Name: 5-[(4-methyl-1-piperazinyl)-oxomethyl]-6,7-dinitro-3,4a-dihydro-2H-1,4-benzodioxin-5-carboxamide IUPAC Name: 5-(4-methylpiperazine-1-carbonyl)-6,7-dinitro-3,4a-dihydro-2H-1,4-benzodioxine-5-carboxamide Traditional Name: 5-(4-methylpiperazine-1-carbonyl)-6,7-dinitro-3,4a-dihydro-2H-1,4-benzodioxin-5-carboxamide Formula: C15H19N5O8 MolecularWeight: 397.34006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2(C3C(=CC(=C2[N+](=O)[O-])[N+](=O)[O-])OCCO3)C(=O)N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2(C3C(=CC(=C2[N+](=O)[O-])[N+](=O)[O-])OCCO3)C(=O)N

InChI

InChI=1S/C15H19N5O8/c1-17-2-4-18(5-3-17)14(22)15(13(16)21)11(20(25)26)9(19(23)24)8-10-12(15)28-7-6-27-10/h8,12H,2-7H2,1H3,(H2,16,21)