(3-pentylphenyl) N-methyl-N-nitroso-carbamate

Systemtic Name: (3-pentylphenyl) N-methyl-N-nitroso-carbamate Openeye Name: (3-pentylphenyl) N-methyl-N-nitroso-carbamate CAS Name: N-methyl-N-nitrosocarbamic acid (3-pentylphenyl) ester IUPAC Name: (3-pentylphenyl) N-methyl-N-nitrosocarbamate Traditional Name: N-methyl-N-nitroso-carbamic acid (3-amylphenyl) ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)OC(=O)N(C)N=O

Isomeric SMILES

CCCCCC1=CC(=CC=C1)OC(=O)N(C)N=O

InChI

InChI=1S/C13H18N2O3/c1-3-4-5-7-11-8-6-9-12(10-11)18-13(16)15(2)14-17/h6,8-10H,3-5,7H2,1-2H3