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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

CCOC(=O)CCCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C18H19N5O6/c1-2-29-16(24)5-3-4-7-22-13-10-14(21-8-6-19-11-21)15(23(27)28)9-12(13)20-17(25)18(22)26/h6,8-11H,2-5,7H2,1H3,(H,20,25)