[7-methyl-6-nitro-2,3-bis(oxidanylidene)-1-(propylamino)-4H-quinoxalin-1-ium-1-yl]methylphosphonic acid

Systemtic Name: [7-methyl-6-nitro-2,3-bis(oxidanylidene)-1-(propylamino)-4H-quinoxalin-1-ium-1-yl]methylphosphonic acid Openeye Name: [7-methyl-6-nitro-2,3-dioxo-1-(propylamino)-4H-quinoxalin-1-ium-1-yl]methylphosphonic acid CAS Name: [7-methyl-6-nitro-2,3-dioxo-1-(propylamino)-4H-quinoxalin-1-ium-1-yl]methylphosphonic acid IUPAC Name: [7-methyl-6-nitro-2,3-dioxo-1-(propylamino)-4H-quinoxalin-1-ium-1-yl]methylphosphonic acid Traditional Name: [2,3-diketo-7-methyl-6-nitro-1-(propylamino)-4H-quinoxalin-1-ium-1-yl]methylphosphonic acid Formula: C13H18N4O7P+ MolecularWeight: 373.278381

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Descriptors Computed from Structure

Canonical SMILES:

CCCN[N+]1(C2=C(C=C(C(=C2)C)[N+](=O)[O-])NC(=O)C1=O)CP(=O)(O)O

Isomeric SMILES

CCCN[N+]1(C2=C(C=C(C(=C2)C)[N+](=O)[O-])NC(=O)C1=O)CP(=O)(O)O

InChI

InChI=1S/C13H17N4O7P/c1-3-4-14-17(7-25(22,23)24)11-5-8(2)10(16(20)21)6-9(11)15-12(18)13(17)19/h5-6,14H,3-4,7H2,1-2H3,(H2-,15,18,22,23,24)/p+1