3-[[3-chloranyl-4-(2,2-dimethylpropoxy)-5-ethoxy-phenyl]methylideneamino]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[3-chloranyl-4-(2,2-dimethylpropoxy)-5-ethoxy-phenyl]methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[[3-chloro-4-(2,2-dimethylpropoxy)-5-ethoxy-phenyl]methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[[3-chloro-4-(2,2-dimethylpropoxy)-5-ethoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[3-chloro-4-(2,2-dimethylpropoxy)-5-ethoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(3-chloro-5-ethoxy-4-neopentyloxy-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)Cl)OCC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)Cl)OCC(C)(C)C

InChI

InChI=1S/C22H24ClN3O4/c1-5-29-18-11-14(10-16(23)19(18)30-13-22(2,3)4)12-24-26-20(27)15-8-6-7-9-17(15)25-21(26)28/h6-12H,5,13H2,1-4H3,(H,25,28)