N-nitroso-N-[(3-pentan-2-ylphenyl)methyl]carbamate; (3-pentan-3-ylphenyl) N-methyl-N-nitroso-carbamate

Systemtic Name: N-nitroso-N-[(3-pentan-2-ylphenyl)methyl]carbamate; (3-pentan-3-ylphenyl) N-methyl-N-nitroso-carbamate Openeye Name: [3-(1-ethylpropyl)phenyl] N-methyl-N-nitroso-carbamate; N-[[3-(1-methylbutyl)phenyl]methyl]-N-nitroso-carbamate CAS Name: N-methyl-N-nitrosocarbamic acid (3-pentan-3-ylphenyl) ester; N-nitroso-N-[(3-pentan-2-ylphenyl)methyl]carbamate IUPAC Name: N-nitroso-N-[(3-pentan-2-ylphenyl)methyl]carbamate; (3-pentan-3-ylphenyl) N-methyl-N-nitrosocarbamate Traditional Name: N-[3-(1-methylbutyl)benzyl]-N-nitroso-carbamate; N-methyl-N-nitroso-carbamic acid [3-(1-ethylpropyl)phenyl] ester Formula: C26H35N4O6- MolecularWeight: 499.5793

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=CC(=C1)CN(C(=O)[O-])N=O.CCC(CC)C1=CC(=CC=C1)OC(=O)N(C)N=O

Isomeric SMILES

CCCC(C)C1=CC=CC(=C1)CN(C(=O)[O-])N=O.CCC(CC)C1=CC(=CC=C1)OC(=O)N(C)N=O

InChI

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