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

Systemtic Name: methyl 5-[(2,4-dinitrophenyl)amino]-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-2,4,5-tris(oxidanylidene)pentanoate Openeye Name: methyl 5-(2,4-dinitroanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate CAS Name: 5-(2,4-dinitroanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoic acid methyl ester IUPAC Name: methyl 5-(2,4-dinitroanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoate Traditional Name: 5-(2,4-dinitroanilino)-2,4,5-triketo-3-(3-keto-6-nitro-4H-quinoxalin-2-yl)valeric acid methyl ester Formula: C20H12N6O12 MolecularWeight: 528.34228

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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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H12N6O12/c1-38-20(31)17(28)14(15-18(29)23-12-6-8(24(32)33)2-4-10(12)21-15)16(27)19(30)22-11-5-3-9(25(34)35)7-13(11)26(36)37/h2-7,14H,1H3,(H,22,30)(H,23,29)