methyl 4-[(2-methylphenyl)amino]-2-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-3,4-bis(oxidanylidene)butanoate

Systemtic Name: methyl 4-[(2-methylphenyl)amino]-2-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-3,4-bis(oxidanylidene)butanoate Openeye Name: methyl 4-(2-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-3,4-dioxo-butanoate CAS Name: 4-(2-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-3,4-dioxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-3,4-dioxobutanoate Traditional Name: 3,4-diketo-2-(3-keto-6-nitro-4H-quinoxalin-2-yl)-4-(o-toluidino)butyric acid methyl ester Formula: C20H16N4O7 MolecularWeight: 424.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC

InChI

InChI=1S/C20H16N4O7/c1-10-5-3-4-6-12(10)22-19(27)17(25)15(20(28)31-2)16-18(26)23-14-9-11(24(29)30)7-8-13(14)21-16/h3-9,15H,1-2H3,(H,22,27)(H,23,26)