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

Systemtic Name: methyl 4-[(2-cyanophenyl)amino]-2-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-3,4-bis(oxidanylidene)butanoate Openeye Name: methyl 4-(2-cyanoanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-3,4-dioxo-butanoate CAS Name: 4-(2-cyanoanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-3,4-dioxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-cyanoanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-3,4-dioxobutanoate Traditional Name: 4-(2-cyanoanilino)-3,4-diketo-2-(3-keto-6-nitro-4H-quinoxalin-2-yl)butyric acid methyl ester Formula: C20H13N5O7 MolecularWeight: 435.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C20H13N5O7/c1-32-20(29)15(17(26)19(28)23-12-5-3-2-4-10(12)9-21)16-18(27)24-14-8-11(25(30)31)6-7-13(14)22-16/h2-8,15H,1H3,(H,23,28)(H,24,27)