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

Systemtic Name: 5-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]-4-phenyl-pentanoic acid Openeye Name: 5-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)-4-phenyl-pentanoic acid CAS Name: 5-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]-4-phenylpentanoic acid IUPAC Name: 5-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)-4-phenylpentanoic acid Traditional Name: 5-(7-imidazol-1-yl-2,3-diketo-6-nitro-4H-quinoxalin-1-yl)-4-phenyl-valeric acid Formula: C22H19N5O6 MolecularWeight: 449.41616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC(=O)O)CN2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCC(=O)O)CN2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C22H19N5O6/c28-20(29)7-6-15(14-4-2-1-3-5-14)12-26-17-11-18(25-9-8-23-13-25)19(27(32)33)10-16(17)24-21(30)22(26)31/h1-5,8-11,13,15H,6-7,12H2,(H,24,30)(H,28,29)