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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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