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

Systemtic Name: 2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]heptylphosphonic acid Openeye Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]heptylphosphonic acid CAS Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]heptylphosphonic acid IUPAC Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]heptylphosphonic acid Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]heptylphosphonic acid Formula: C16H23N4O7P MolecularWeight: 414.350181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N4O7P/c1-2-3-4-5-11(9-28(25,26)27)17-8-10-6-12(20(23)24)7-13-14(10)19-16(22)15(21)18-13/h6-7,11,17H,2-5,8-9H2,1H3,(H,18,21)(H,19,22)(H2,25,26,27)