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

Systemtic Name: methyl 5-[(4-methoxy-2-nitro-phenyl)amino]-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-2,4,5-tris(oxidanylidene)pentanoate Openeye Name: methyl 5-(4-methoxy-2-nitro-anilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate CAS Name: 5-(4-methoxy-2-nitroanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoic acid methyl ester IUPAC Name: methyl 5-(4-methoxy-2-nitroanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoate Traditional Name: 2,4,5-triketo-3-(3-keto-6-nitro-4H-quinoxalin-2-yl)-5-(4-methoxy-2-nitro-anilino)valeric acid methyl ester Formula: C21H15N5O11 MolecularWeight: 513.3707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O11/c1-36-10-4-6-12(14(8-10)26(34)35)23-20(30)17(27)15(18(28)21(31)37-2)16-19(29)24-13-7-9(25(32)33)3-5-11(13)22-16/h3-8,15H,1-2H3,(H,23,30)(H,24,29)