(5S)-1-butyl-5-(4-chlorophenyl)-4-[(4-nitrophenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione

Systemtic Name: (5S)-1-butyl-5-(4-chlorophenyl)-4-[(4-nitrophenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (5S)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylene]pyrrolidine-2,3-dione CAS Name: (5S)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (5S)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (5S)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylene]pyrrolidine-2,3-quinone Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C1=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1[C@H](C(=C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C1=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O5/c1-2-3-12-23-18(13-4-8-15(22)9-5-13)17(20(26)21(23)27)19(25)14-6-10-16(11-7-14)24(28)29/h4-11,18,25H,2-3,12H2,1H3/t18-/m0/s1