3-(4-butylphenyl)-1-(2-chloroethyl)-1-nitroso-urea

Systemtic Name: 3-(4-butylphenyl)-1-(2-chloroethyl)-1-nitroso-urea Openeye Name: 3-(4-butylphenyl)-1-(2-chloroethyl)-1-nitroso-urea CAS Name: 3-(4-butylphenyl)-1-(2-chloroethyl)-1-nitrosourea IUPAC Name: 3-(4-butylphenyl)-1-(2-chloroethyl)-1-nitrosourea Traditional Name: 3-(4-butylphenyl)-1-(2-chloroethyl)-1-nitroso-urea Formula: C13H18ClN3O2 MolecularWeight: 283.75392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N(CCCl)N=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C13H18ClN3O2/c1-2-3-4-11-5-7-12(8-6-11)15-13(18)17(16-19)10-9-14/h5-8H,2-4,9-10H2,1H3,(H,15,18)