2-[(4-methylphenyl)methyl-nitroso-amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)methyl-nitroso-amino]ethanoic acid Openeye Name: 2-[nitroso(p-tolylmethyl)amino]acetic acid CAS Name: 2-[(4-methylphenyl)methyl-nitrosoamino]acetic acid IUPAC Name: 2-[(4-methylphenyl)methyl-nitrosoamino]acetic acid Traditional Name: 2-[(4-methylbenzyl)-nitroso-amino]acetic acid Formula: C10H12N2O3 MolecularWeight: 208.21388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)O)N=O

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)O)N=O

InChI

InChI=1S/C10H12N2O3/c1-8-2-4-9(5-3-8)6-12(11-15)7-10(13)14/h2-5H,6-7H2,1H3,(H,13,14)