methyl 5-[(4-fluorophenyl)amino]-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-2,4,5-tris(oxidanylidene)pentanoate

Systemtic Name: methyl 5-[(4-fluorophenyl)amino]-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-2,4,5-tris(oxidanylidene)pentanoate Openeye Name: methyl 5-(4-fluoroanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate CAS Name: 5-(4-fluoroanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoic acid methyl ester IUPAC Name: methyl 5-(4-fluoroanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoate Traditional Name: 5-(4-fluoroanilino)-2,4,5-triketo-3-(3-keto-6-nitro-4H-quinoxalin-2-yl)valeric acid methyl ester Formula: C20H13FN4O8 MolecularWeight: 456.337623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H13FN4O8/c1-33-20(30)17(27)14(16(26)19(29)22-10-4-2-9(21)3-5-10)15-18(28)24-13-8-11(25(31)32)6-7-12(13)23-15/h2-8,14H,1H3,(H,22,29)(H,24,28)