5-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]-2,4-dimethyl-pentanoic acid

Systemtic Name: 5-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]-2,4-dimethyl-pentanoic acid Openeye Name: 5-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)-2,4-dimethyl-pentanoic acid CAS Name: 5-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]-2,4-dimethylpentanoic acid IUPAC Name: 5-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)-2,4-dimethylpentanoic acid Traditional Name: 5-(7-imidazol-1-yl-2,3-diketo-6-nitro-4H-quinoxalin-1-yl)-2,4-dimethyl-valeric acid Formula: C18H19N5O6 MolecularWeight: 401.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)O)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

CC(CC(C)C(=O)O)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C18H19N5O6/c1-10(5-11(2)18(26)27)8-22-13-7-14(21-4-3-19-9-21)15(23(28)29)6-12(13)20-16(24)17(22)25/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,20,24)(H,26,27)