4-[(2,3-dimethyl-4-pent-1-ynyl-phenyl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: 4-[(2,3-dimethyl-4-pent-1-ynyl-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 4-[(2,3-dimethyl-4-pent-1-ynyl-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 4-[(2,3-dimethyl-4-pent-1-ynylphenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 4-[(2,3-dimethyl-4-pent-1-ynylphenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 4-(2,3-dimethyl-4-pent-1-ynyl-benzylidene)pyrazolidine-3,5-quinone Formula: C17H18N2O2 MolecularWeight: 282.33702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C(=C(C=C1)C=C2C(=O)NNC2=O)C)C

Isomeric SMILES

CCCC#CC1=C(C(=C(C=C1)C=C2C(=O)NNC2=O)C)C

InChI

InChI=1S/C17H18N2O2/c1-4-5-6-7-13-8-9-14(12(3)11(13)2)10-15-16(20)18-19-17(15)21/h8-10H,4-5H2,1-3H3,(H,18,20)(H,19,21)