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2-[7-(dipropylamino)-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethylphosphonic acid

2-[7-(dipropylamino)-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethylphosphonic acid

Systemtic Name:2-[7-(dipropylamino)-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethylphosphonic acid
Openeye Name:2-[7-(dipropylamino)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]ethylphosphonic acid
CAS Name:2-[7-(dipropylamino)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]ethylphosphonic acid
IUPAC Name:2-[7-(dipropylamino)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]ethylphosphonic acid
Traditional Name:2-[7-(dipropylamino)-2,3-diketo-6-nitro-4H-quinoxalin-1-yl]ethylphosphonic acid
Formula: C16H23N4O7P
MolecularWeight: 414.350181
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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C2C(=C1)N(C(=O)C(=O)N2)CCP(=O)(O)O)[N+](=O)[O-]


Isomeric SMILES

CCCN(CCC)C1=C(C=C2C(=C1)N(C(=O)C(=O)N2)CCP(=O)(O)O)[N+](=O)[O-]


InChI

InChI=1S/C16H23N4O7P/c1-3-5-18(6-4-2)13-10-12-11(9-14(13)20(23)24)17-15(21)16(22)19(12)7-8-28(25,26)27/h9-10H,3-8H2,1-2H3,(H,17,21)(H2,25,26,27)


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