1-(3,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(3,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(3,4-dimethylphenyl)-4-(3-methoxy-4-propargyloxy-benzylidene)pyrazolidine-3,5-quinone Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OC)C(=O)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OC)C(=O)N2)C

InChI

InChI=1S/C22H20N2O4/c1-5-10-28-19-9-7-16(13-20(19)27-4)12-18-21(25)23-24(22(18)26)17-8-6-14(2)15(3)11-17/h1,6-9,11-13H,10H2,2-4H3,(H,23,25)