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

Systemtic Name: 5-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]pentanoic acid Openeye Name: 5-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)pentanoic acid CAS Name: 5-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]pentanoic acid IUPAC Name: 5-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)pentanoic acid Traditional Name: 5-(7-imidazol-1-yl-2,3-diketo-6-nitro-4H-quinoxalin-1-yl)valeric acid Formula: C16H15N5O6 MolecularWeight: 373.3202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O6/c22-14(23)3-1-2-5-20-11-8-12(19-6-4-17-9-19)13(21(26)27)7-10(11)18-15(24)16(20)25/h4,6-9H,1-3,5H2,(H,18,24)(H,22,23)