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

Systemtic Name: (5S)-1-butyl-5-(3-methoxy-4-oxidanyl-phenyl)-4-[(4-nitrophenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (5S)-1-butyl-5-(4-hydroxy-3-methoxy-phenyl)-4-[hydroxy-(4-nitrophenyl)methylene]pyrrolidine-2,3-dione CAS Name: (5S)-1-butyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (5S)-1-butyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (5S)-1-butyl-5-(4-hydroxy-3-methoxy-phenyl)-4-[hydroxy-(4-nitrophenyl)methylene]pyrrolidine-2,3-quinone Formula: C22H22N2O7 MolecularWeight: 426.41928

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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)O)OC

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)O)OC

InChI

InChI=1S/C22H22N2O7/c1-3-4-11-23-19(14-7-10-16(25)17(12-14)31-2)18(21(27)22(23)28)20(26)13-5-8-15(9-6-13)24(29)30/h5-10,12,19,25-26H,3-4,11H2,1-2H3/t19-/m0/s1