methyl (4Z)-5-[(2-aminocarbonylphenyl)amino]-4-diazanylidene-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-2,5-bis(oxidanylidene)pentanoate

Systemtic Name: methyl (4Z)-5-[(2-aminocarbonylphenyl)amino]-4-diazanylidene-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-2,5-bis(oxidanylidene)pentanoate Openeye Name: methyl (4Z)-5-(2-carbamoylanilino)-4-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,5-dioxo-pentanoate CAS Name: (4Z)-5-(2-carbamoylanilino)-4-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,5-dioxopentanoic acid methyl ester IUPAC Name: methyl (4Z)-5-(2-carbamoylanilino)-4-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,5-dioxopentanoate Traditional Name: (4Z)-5-(2-carbamoylanilino)-4-hydrazono-2,5-diketo-3-(3-keto-6-nitro-4H-quinoxalin-2-yl)valeric acid methyl ester Formula: C21H17N7O8 MolecularWeight: 495.40178

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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(=NN)C(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N7O8/c1-36-21(33)17(29)14(15-19(31)26-13-8-9(28(34)35)6-7-12(13)24-15)16(27-23)20(32)25-11-5-3-2-4-10(11)18(22)30/h2-8,14H,23H2,1H3,(H2,22,30)(H,25,32)(H,26,31)/b27-16-