(4E)-4-[5-(4-chlorophenyl)-1H-pyrimidin-2-ylidene]-4-nitroso-butanoic acid

Systemtic Name: (4E)-4-[5-(4-chlorophenyl)-1H-pyrimidin-2-ylidene]-4-nitroso-butanoic acid Openeye Name: (4E)-4-[5-(4-chlorophenyl)-1H-pyrimidin-2-ylidene]-4-nitroso-butanoic acid CAS Name: (4E)-4-[5-(4-chlorophenyl)-1H-pyrimidin-2-ylidene]-4-nitrosobutanoic acid IUPAC Name: (4E)-4-[5-(4-chlorophenyl)-1H-pyrimidin-2-ylidene]-4-nitrosobutanoic acid Traditional Name: (4E)-4-[5-(4-chlorophenyl)-1H-pyrimidin-2-ylidene]-4-nitroso-butyric acid Formula: C14H12ClN3O3 MolecularWeight: 305.71638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CNC(=C(CCC(=O)O)N=O)N=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CN/C(=C(/CCC(=O)O)\N=O)/N=C2)Cl

InChI

InChI=1S/C14H12ClN3O3/c15-11-3-1-9(2-4-11)10-7-16-14(17-8-10)12(18-21)5-6-13(19)20/h1-4,7-8,16H,5-6H2,(H,19,20)/b14-12+