3-(3-methylbutanoyl)-2-(3-nitrophenyl)-4-oxidanyl-1-(phenylmethyl)-2H-pyrrol-5-one

Systemtic Name: 3-(3-methylbutanoyl)-2-(3-nitrophenyl)-4-oxidanyl-1-(phenylmethyl)-2H-pyrrol-5-one Openeye Name: 1-benzyl-4-hydroxy-3-(3-methylbutanoyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-3-(3-methyl-1-oxobutyl)-2-(3-nitrophenyl)-1-(phenylmethyl)-2H-pyrrol-5-one IUPAC Name: 1-benzyl-4-hydroxy-3-(3-methylbutanoyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one Traditional Name: 1-benzyl-3-hydroxy-4-isovaleryl-5-(3-nitrophenyl)-3-pyrrolin-2-one Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)O

InChI

InChI=1S/C22H22N2O5/c1-14(2)11-18(25)19-20(16-9-6-10-17(12-16)24(28)29)23(22(27)21(19)26)13-15-7-4-3-5-8-15/h3-10,12,14,20,26H,11,13H2,1-2H3