dimethyl 2-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-3-phenyl-propyl]propanedioate

Systemtic Name: dimethyl 2-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-3-phenyl-propyl]propanedioate Openeye Name: dimethyl 2-[(3E)-3-[(2,4-dinitrophenyl)hydrazono]-3-phenyl-propyl]propanedioate CAS Name: 2-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-3-phenylpropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-3-phenylpropyl]propanedioate Traditional Name: 2-[(3E)-3-[(2,4-dinitrophenyl)hydrazono]-3-phenyl-propyl]malonic acid dimethyl ester Formula: C20H20N4O8 MolecularWeight: 444.3948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CC/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20N4O8/c1-31-19(25)15(20(26)32-2)9-11-16(13-6-4-3-5-7-13)21-22-17-10-8-14(23(27)28)12-18(17)24(29)30/h3-8,10,12,15,22H,9,11H2,1-2H3/b21-16+