methyl N-[1-[nitroso(phenyl)amino]hexan-2-yl]carbamate

Systemtic Name: methyl N-[1-[nitroso(phenyl)amino]hexan-2-yl]carbamate Openeye Name: methyl N-[1-[(N-nitrosoanilino)methyl]pentyl]carbamate CAS Name: N-[1-(N-nitrosoanilino)hexan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-(N-nitrosoanilino)hexan-2-yl]carbamate Traditional Name: N-[1-[(N-nitrosoanilino)methyl]pentyl]carbamic acid methyl ester Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN(C1=CC=CC=C1)N=O)NC(=O)OC

Isomeric SMILES

CCCCC(CN(C1=CC=CC=C1)N=O)NC(=O)OC

InChI

InChI=1S/C14H21N3O3/c1-3-4-8-12(15-14(18)20-2)11-17(16-19)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,15,18)