3-(4-bromanyl-2-methyl-phenyl)-1,1-bis(2-cyanoethyl)urea

Systemtic Name: 3-(4-bromanyl-2-methyl-phenyl)-1,1-bis(2-cyanoethyl)urea Openeye Name: 3-(4-bromo-2-methyl-phenyl)-1,1-bis(2-cyanoethyl)urea CAS Name: 3-(4-bromo-2-methylphenyl)-1,1-bis(2-cyanoethyl)urea IUPAC Name: 3-(4-bromo-2-methylphenyl)-1,1-bis(2-cyanoethyl)urea Traditional Name: 3-(4-bromo-2-methyl-phenyl)-1,1-bis(2-cyanoethyl)urea Formula: C14H15BrN4O MolecularWeight: 335.1991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C14H15BrN4O/c1-11-10-12(15)4-5-13(11)18-14(20)19(8-2-6-16)9-3-7-17/h4-5,10H,2-3,8-9H2,1H3,(H,18,20)