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

Systemtic Name: 1-[6-nitro-2,3-bis(oxidanylidene)-4H-benzo[h]quinoxalin-1-yl]butylphosphonic acid Openeye Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)butylphosphonic acid CAS Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)butylphosphonic acid IUPAC Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)butylphosphonic acid Traditional Name: 1-(2,3-diketo-6-nitro-4H-benzo[h]quinoxalin-1-yl)butylphosphonic acid Formula: C16H16N3O7P MolecularWeight: 393.287901

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1C2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])NC(=O)C1=O)P(=O)(O)O

Isomeric SMILES

CCCC(N1C2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])NC(=O)C1=O)P(=O)(O)O

InChI

InChI=1S/C16H16N3O7P/c1-2-5-13(27(24,25)26)18-14-10-7-4-3-6-9(10)12(19(22)23)8-11(14)17-15(20)16(18)21/h3-4,6-8,13H,2,5H2,1H3,(H,17,20)(H2,24,25,26)