1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea

Systemtic Name: 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea Openeye Name: 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea CAS Name: 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea IUPAC Name: 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea Traditional Name: 1-(2-chloroethyl)-3-veratryl-urea Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NCCCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCCCl)OC

InChI

InChI=1S/C12H17ClN2O3/c1-17-10-4-3-9(7-11(10)18-2)8-15-12(16)14-6-5-13/h3-4,7H,5-6,8H2,1-2H3,(H2,14,15,16)