AC1NRIJ0 structure

AC1NRIJ0

(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

Also Known As: BAS 02378698|AB00116305-01|A2671/0113787|4-(4-chlorobenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one|(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione|4-(4-CHLOROBENZOYL)-3-HYDROXY-5-(4-NITROPHENYL)-1-[(PYRIDIN-3-YL)METHYL]-2,5-DIHYDRO-1H-PYRROL-2-ONE|4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-(4-nitrophenyl)-1-(3-pyridylmethyl)-3 -pyrrolin-2-one

CAS: 335206-41-2
Molecular Formula C23H16ClN3O5
Molecular Weight 449.07785 g/mol
LogP 4.2651
Topological Polar Surface Area 113.64 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 449.07785
Monoisotopic Mass 449.07785
Heavy Atoms 32
Complexity 1224.7513

Chemical Identifiers

CAS Number 335206-41-2
SMILES C1=CC(=CN=C1)CN2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Product Overview

AC1NRIJ0 (CAS 335206-41-2), with molecular formula C23H16ClN3O5 and molecular weight 449.07785 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.

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