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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3)C(=O)O

Isomeric SMILES

CC(C)(CCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3)C(=O)O

InChI

InChI=1S/C18H19N5O6/c1-18(2,17(26)27)4-3-6-22-12-9-13(21-7-5-19-10-21)14(23(28)29)8-11(12)20-15(24)16(22)25/h5,7-10H,3-4,6H2,1-2H3,(H,20,24)(H,26,27)