[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-ethyl] 4-bromanylbenzoate

Systemtic Name: [(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-ethyl] 4-bromanylbenzoate Openeye Name: [(2Z)-2-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] ester IUPAC Name: [(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2Z)-2-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-ethyl] ester Formula: C21H15BrN4O6 MolecularWeight: 499.271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H15BrN4O6/c22-16-8-6-15(7-9-16)21(27)32-13-19(14-4-2-1-3-5-14)24-23-18-11-10-17(25(28)29)12-20(18)26(30)31/h1-12,23H,13H2/b24-19+