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4-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butylphosphonic acid

4-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butylphosphonic acid

Systemtic Name:4-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butylphosphonic acid
Openeye Name:4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butylphosphonic acid
CAS Name:4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butylphosphonic acid
IUPAC Name:4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butylphosphonic acid
Traditional Name:4-(2,3-diketo-6-nitro-4H-quinoxalin-1-yl)butylphosphonic acid
Formula: C12H14N3O7P
MolecularWeight: 343.229221
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2CCCCP(=O)(O)O


Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2CCCCP(=O)(O)O


InChI

InChI=1S/C12H14N3O7P/c16-11-12(17)14(5-1-2-6-23(20,21)22)10-4-3-8(15(18)19)7-9(10)13-11/h3-4,7H,1-2,5-6H2,(H,13,16)(H2,20,21,22)


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