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

Systemtic Name: methyl N-[1-[nitroso(phenyl)amino]butan-2-yl]carbamate Openeye Name: methyl N-[1-[(N-nitrosoanilino)methyl]propyl]carbamate CAS Name: N-[1-(N-nitrosoanilino)butan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-(N-nitrosoanilino)butan-2-yl]carbamate Traditional Name: N-[1-[(N-nitrosoanilino)methyl]propyl]carbamic acid methyl ester Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-3-10(13-12(16)18-2)9-15(14-17)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,16)