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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(3-methoxy-4-propargyloxy-benzylidene)pyrazolidine-3,5-quinone Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O4/c1-4-9-28-18-8-6-14(11-19(18)27-3)10-16-20(25)23-24(21(16)26)15-7-5-13(2)17(22)12-15/h1,5-8,10-12H,9H2,2-3H3,(H,23,25)