(E)-4-[(4-chlorophenyl)-pyridin-2-yl-methyl]peroxy-4-oxidanylidene-but-2-enoate; piperidine

Systemtic Name: (E)-4-[(4-chlorophenyl)-pyridin-2-yl-methyl]peroxy-4-oxidanylidene-but-2-enoate; piperidine Openeye Name: (E)-4-[(4-chlorophenyl)-(2-pyridyl)methyl]peroxy-4-oxo-but-2-enoate; piperidine CAS Name: (E)-4-[(4-chlorophenyl)-(2-pyridinyl)methyl]dioxy-4-oxo-2-butenoate; piperidine IUPAC Name: (E)-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]peroxy-4-oxobut-2-enoate; piperidine Traditional Name: (E)-4-[(4-chlorophenyl)-(2-pyridyl)methyl]peroxy-4-keto-but-2-enoate; piperidine Formula: C21H22ClN2O5- MolecularWeight: 417.86278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC1.C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)OOC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CCNCC1.C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)OOC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C16H12ClNO5.C5H11N/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;1-2-4-6-5-3-1/h1-10,16H,(H,19,20);6H,1-5H2/p-1/b9-8+;