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

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

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCCP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCCP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N4O7P/c17-11-12(18)15-10-7(6-13-2-1-3-24(21,22)23)4-8(16(19)20)5-9(10)14-11/h4-5,13H,1-3,6H2,(H,14,17)(H,15,18)(H2,21,22,23)