1-(3-bromophenyl)-4-[(3,4-diethoxyphenyl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: 1-(3-bromophenyl)-4-[(3,4-diethoxyphenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(3-bromophenyl)-4-[(3,4-diethoxyphenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(3-bromophenyl)-4-[(3,4-diethoxyphenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(3-bromophenyl)-4-[(3,4-diethoxyphenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(3-bromophenyl)-4-(3,4-diethoxybenzylidene)pyrazolidine-3,5-quinone Formula: C20H19BrN2O4 MolecularWeight: 431.27986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O4/c1-3-26-17-9-8-13(11-18(17)27-4-2)10-16-19(24)22-23(20(16)25)15-7-5-6-14(21)12-15/h5-12H,3-4H2,1-2H3,(H,22,24)