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

Systemtic Name: methyl (3Z)-3-(aminocarbonylhydrazinylidene)-4-[(4-methylphenyl)amino]-2-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-4-oxidanylidene-butanoate Openeye Name: methyl (3Z)-3-(carbamoylhydrazono)-4-(4-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxo-butanoate CAS Name: (3Z)-3-(carbamoylhydrazinylidene)-4-(4-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3Z)-3-(carbamoylhydrazinylidene)-4-(4-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate Traditional Name: (3Z)-4-keto-2-(3-keto-6-nitro-4H-quinoxalin-2-yl)-4-(p-toluidino)-3-semicarbazono-butyric acid methyl ester Formula: C21H19N7O7 MolecularWeight: 481.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)N)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=N\NC(=O)N)/C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC

InChI

InChI=1S/C21H19N7O7/c1-10-3-5-11(6-4-10)23-19(30)17(26-27-21(22)32)15(20(31)35-2)16-18(29)25-14-9-12(28(33)34)7-8-13(14)24-16/h3-9,15H,1-2H3,(H,23,30)(H,25,29)(H3,22,27,32)/b26-17-