2-[(3E)-3-(aminocarbonylhydrazinylidene)-1-methoxy-4-[(4-methylphenyl)amino]-1,4-bis(oxidanylidene)butan-2-yl]-N-oxidanyl-3-oxidanylidene-4H-quinoxalin-6-amine oxide

Systemtic Name: 2-[(3E)-3-(aminocarbonylhydrazinylidene)-1-methoxy-4-[(4-methylphenyl)amino]-1,4-bis(oxidanylidene)butan-2-yl]-N-oxidanyl-3-oxidanylidene-4H-quinoxalin-6-amine oxide Openeye Name: 2-[(2E)-2-(carbamoylhydrazono)-1-methoxycarbonyl-3-(4-methylanilino)-3-oxo-propyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide CAS Name: 2-[(3E)-3-(carbamoylhydrazinylidene)-1-methoxy-4-(4-methylanilino)-1,4-dioxobutan-2-yl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide IUPAC Name: 2-[(3E)-3-(carbamoylhydrazinylidene)-1-methoxy-4-(4-methylanilino)-1,4-dioxobutan-2-yl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide Traditional Name: 2-[(2E)-1-carbomethoxy-3-keto-3-(p-toluidino)-2-semicarbazono-propyl]-N-hydroxy-3-keto-4H-quinoxalin-6-amine oxide Formula: C21H21N7O7 MolecularWeight: 483.43414

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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)[NH+](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)[NH+](O)[O-])NC2=O)C(=O)OC

InChI

InChI=1S/C21H21N7O7/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/h3-9,15,28,33H,1-2H3,(H,23,30)(H,25,29)(H3,22,27,32)/b26-17+