methyl 5-azanyl-2,4,5-tris(oxidanylidene)-3-[3-oxidanylidene-6-(phenylcarbonyl)-4H-quinoxalin-2-yl]pentanoate

Systemtic Name: methyl 5-azanyl-2,4,5-tris(oxidanylidene)-3-[3-oxidanylidene-6-(phenylcarbonyl)-4H-quinoxalin-2-yl]pentanoate Openeye Name: methyl 5-amino-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate CAS Name: 5-amino-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoic acid methyl ester IUPAC Name: methyl 5-amino-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoate Traditional Name: 5-amino-3-(6-benzoyl-3-keto-4H-quinoxalin-2-yl)-2,4,5-triketo-valeric acid methyl ester Formula: C21H15N3O7 MolecularWeight: 421.3597

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)N

Isomeric SMILES

COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)N

InChI

InChI=1S/C21H15N3O7/c1-31-21(30)18(27)14(17(26)19(22)28)15-20(29)24-13-9-11(7-8-12(13)23-15)16(25)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,22,28)(H,24,29)