2-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl]ethanoic acid

Systemtic Name: 2-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl]ethanoic acid Openeye Name: 2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl)acetic acid CAS Name: 2-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl]acetic acid IUPAC Name: 2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl)acetic acid Traditional Name: 2-(7-imidazol-1-yl-2,3-diketo-6-nitro-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-1-yl)acetic acid Formula: C13H15N5O6 MolecularWeight: 337.2881

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(CC(C1[N+](=O)[O-])N3C=CN=C3)N(C(=O)C(=O)N2)CC(=O)O

Isomeric SMILES

C1C2C(CC(C1[N+](=O)[O-])N3C=CN=C3)N(C(=O)C(=O)N2)CC(=O)O

InChI

InChI=1S/C13H15N5O6/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22/h1-2,6-10H,3-5H2,(H,15,21)(H,19,20)