methyl N-[1-[(3-methylphenyl)-nitroso-amino]propan-2-yl]carbamate

Systemtic Name: methyl N-[1-[(3-methylphenyl)-nitroso-amino]propan-2-yl]carbamate Openeye Name: methyl N-[1-methyl-2-(3-methyl-N-nitroso-anilino)ethyl]carbamate CAS Name: N-[1-(3-methyl-N-nitrosoanilino)propan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-(3-methyl-N-nitrosoanilino)propan-2-yl]carbamate Traditional Name: N-[1-methyl-2-(3-methyl-N-nitroso-anilino)ethyl]carbamic acid methyl ester Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(C)NC(=O)OC)N=O

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(C)NC(=O)OC)N=O

InChI

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