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

Systemtic Name: 1-(3-bromophenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(3-bromophenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(3-bromophenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(3-bromophenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(3-bromophenyl)-4-(3-methoxy-4-propargyloxy-benzylidene)pyrazolidine-3,5-quinone Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC(=CC=C3)Br)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC(=CC=C3)Br)OCC#C

InChI

InChI=1S/C20H15BrN2O4/c1-3-9-27-17-8-7-13(11-18(17)26-2)10-16-19(24)22-23(20(16)25)15-6-4-5-14(21)12-15/h1,4-8,10-12H,9H2,2H3,(H,22,24)