6-[(5S)-1-(2-ethylbutanoyl)-5-(furan-2-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-(furan-2-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-(2-furyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-1-(2-ethyl-1-oxobutyl)-5-(2-furanyl)-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-(furan-2-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-1-(2-ethylbutanoyl)-5-(2-furyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1C(CC(=C2C=CC=CC2=O)N1)C3=CC=CO3

Isomeric SMILES

CCC(CC)C(=O)N1[C@@H](CC(=C2C=CC=CC2=O)N1)C3=CC=CO3

InChI

InChI=1S/C19H22N2O3/c1-3-13(4-2)19(23)21-16(18-10-7-11-24-18)12-15(20-21)14-8-5-6-9-17(14)22/h5-11,13,16,20H,3-4,12H2,1-2H3/t16-/m0/s1