O2-ethyl O1,O1-dimethyl (3E)-3-(aminocarbonylhydrazinylidene)-1-bromanyl-butane-1,1,2-tricarboxylate

Systemtic Name: O2-ethyl O1,O1-dimethyl (3E)-3-(aminocarbonylhydrazinylidene)-1-bromanyl-butane-1,1,2-tricarboxylate Openeye Name: O2-ethyl O1,O1-dimethyl (3E)-1-bromo-3-(carbamoylhydrazono)butane-1,1,2-tricarboxylate CAS Name: (3E)-1-bromo-3-(carbamoylhydrazinylidene)butane-1,1,2-tricarboxylic acid O2-ethyl ester O1,O1-dimethyl ester IUPAC Name: 2-O-ethyl 1-O,1-O-dimethyl (3E)-1-bromo-3-(carbamoylhydrazinylidene)butane-1,1,2-tricarboxylate Traditional Name: (3E)-1-bromo-3-semicarbazono-butane-1,1,2-tricarboxylic acid O2-ethyl ester O1,O1-dimethyl ester Formula: C12H18BrN3O7 MolecularWeight: 396.19122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=NNC(=O)N)C)C(C(=O)OC)(C(=O)OC)Br

Isomeric SMILES

CCOC(=O)C(/C(=N/NC(=O)N)/C)C(C(=O)OC)(C(=O)OC)Br

InChI

InChI=1S/C12H18BrN3O7/c1-5-23-8(17)7(6(2)15-16-11(14)20)12(13,9(18)21-3)10(19)22-4/h7H,5H2,1-4H3,(H3,14,16,20)/b15-6+