(4E)-2-[3-(dioxidanylmethyl)phenyl]-5-methyl-4-[(4-methyl-5-pyrrolidin-1-yl-furan-2-yl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-[3-(dioxidanylmethyl)phenyl]-5-methyl-4-[(4-methyl-5-pyrrolidin-1-yl-furan-2-yl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-[3-(hydroperoxymethyl)phenyl]-5-methyl-4-[(4-methyl-5-pyrrolidin-1-yl-2-furyl)methylene]pyrazol-3-one CAS Name: (4E)-2-[3-(hydroperoxymethyl)phenyl]-5-methyl-4-[[4-methyl-5-(1-pyrrolidinyl)-2-furanyl]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-[3-(hydroperoxymethyl)phenyl]-5-methyl-4-[(4-methyl-5-pyrrolidin-1-ylfuran-2-yl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-[3-(hydroperoxymethyl)phenyl]-5-methyl-4-[(4-methyl-5-pyrrolidino-2-furyl)methylene]-2-pyrazolin-3-one Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)COO)C)N4CCCC4

Isomeric SMILES

CC1=C(OC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)COO)C)N4CCCC4

InChI

InChI=1S/C21H23N3O4/c1-14-10-18(28-21(14)23-8-3-4-9-23)12-19-15(2)22-24(20(19)25)17-7-5-6-16(11-17)13-27-26/h5-7,10-12,26H,3-4,8-9,13H2,1-2H3/b19-12+