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

Systemtic Name: 2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]butylphosphonic acid Openeye Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butylphosphonic acid CAS Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butylphosphonic acid IUPAC Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butylphosphonic acid Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]butylphosphonic acid Formula: C13H17N4O7P MolecularWeight: 372.270441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N4O7P/c1-2-8(6-25(22,23)24)14-5-7-3-9(17(20)21)4-10-11(7)16-13(19)12(18)15-10/h3-4,8,14H,2,5-6H2,1H3,(H,15,18)(H,16,19)(H2,22,23,24)