(E)-4-[(4-chlorophenyl)-pyridin-2-yl-methyl]peroxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4-chlorophenyl)-pyridin-2-yl-methyl]peroxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(4-chlorophenyl)-(2-pyridyl)methyl]peroxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(4-chlorophenyl)-(2-pyridinyl)methyl]dioxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]peroxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(4-chlorophenyl)-(2-pyridyl)methyl]peroxy-4-keto-but-2-enoic acid Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)OOC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)OOC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H12ClNO5/c17-12-6-4-11(5-7-12)16(13-3-1-2-10-18-13)23-22-15(21)9-8-14(19)20/h1-10,16H,(H,19,20)/b9-8+