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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N4O7P/c18-12-13(19)16-11-8(5-9(17(20)21)6-10(11)15-12)7-14-3-1-2-4-25(22,23)24/h5-6,14H,1-4,7H2,(H,15,18)(H,16,19)(H2,22,23,24)