1-[6,10-dinitro-2,3-bis(oxidanylidene)-4H-benzo[h]quinoxalin-1-yl]ethylphosphonic acid

Systemtic Name: 1-[6,10-dinitro-2,3-bis(oxidanylidene)-4H-benzo[h]quinoxalin-1-yl]ethylphosphonic acid Openeye Name: 1-(6,10-dinitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)ethylphosphonic acid CAS Name: 1-(6,10-dinitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)ethylphosphonic acid IUPAC Name: 1-(6,10-dinitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)ethylphosphonic acid Traditional Name: 1-(2,3-diketo-6,10-dinitro-4H-benzo[h]quinoxalin-1-yl)ethylphosphonic acid Formula: C14H11N4O9P MolecularWeight: 410.232301

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C3C(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])C=CC=C3[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CC(N1C2=C3C(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])C=CC=C3[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C14H11N4O9P/c1-6(28(25,26)27)16-12-8(15-13(19)14(16)20)5-10(18(23)24)7-3-2-4-9(11(7)12)17(21)22/h2-6H,1H3,(H,15,19)(H2,25,26,27)