1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid

Systemtic Name: 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid Openeye Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propylphosphonic acid CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propylphosphonic acid IUPAC Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propylphosphonic acid Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]propylphosphonic acid Formula: C12H15N4O7P MolecularWeight: 358.243861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C12H15N4O7P/c1-2-9(24(21,22)23)13-5-6-3-7(16(19)20)4-8-10(6)15-12(18)11(17)14-8/h3-4,9,13H,2,5H2,1H3,(H,14,17)(H,15,18)(H2,21,22,23)