1-(3-chloranyl-4-methyl-phenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(3-ethoxy-4-propargyloxy-benzylidene)pyrazolidine-3,5-quinone Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC(=C(C=C3)C)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC(=C(C=C3)C)Cl)OCC#C

InChI

InChI=1S/C22H19ClN2O4/c1-4-10-29-19-9-7-15(12-20(19)28-5-2)11-17-21(26)24-25(22(17)27)16-8-6-14(3)18(23)13-16/h1,6-9,11-13H,5,10H2,2-3H3,(H,24,26)