1-[(2-chloranyl-4,5-dicyano-phenyl)amino]-3-[(2,4-diethylphenoxy)methyl]urea

Systemtic Name: 1-[(2-chloranyl-4,5-dicyano-phenyl)amino]-3-[(2,4-diethylphenoxy)methyl]urea Openeye Name: 1-(2-chloro-4,5-dicyano-anilino)-3-[(2,4-diethylphenoxy)methyl]urea CAS Name: 1-(2-chloro-4,5-dicyanoanilino)-3-[(2,4-diethylphenoxy)methyl]urea IUPAC Name: 1-(2-chloro-4,5-dicyanoanilino)-3-[(2,4-diethylphenoxy)methyl]urea Traditional Name: 1-(2-chloro-4,5-dicyano-anilino)-3-[(2,4-diethylphenoxy)methyl]urea Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCNC(=O)NNC2=C(C=C(C(=C2)C#N)C#N)Cl)CC

Isomeric SMILES

CCC1=CC(=C(C=C1)OCNC(=O)NNC2=C(C=C(C(=C2)C#N)C#N)Cl)CC

InChI

InChI=1S/C20H20ClN5O2/c1-3-13-5-6-19(14(4-2)7-13)28-12-24-20(27)26-25-18-9-16(11-23)15(10-22)8-17(18)21/h5-9,25H,3-4,12H2,1-2H3,(H2,24,26,27)