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

Systemtic Name: 2-[[4-(4-methylphenyl)carbonylphenyl]-nitroso-amino]ethanoic acid Openeye Name: 2-[4-(4-methylbenzoyl)-N-nitroso-anilino]acetic acid CAS Name: 2-[4-[(4-methylphenyl)-oxomethyl]-N-nitrosoanilino]acetic acid IUPAC Name: 2-[4-(4-methylbenzoyl)-N-nitrosoanilino]acetic acid Traditional Name: 2-(N-nitroso-4-p-toluoyl-anilino)acetic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC(=O)O)N=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC(=O)O)N=O

InChI

InChI=1S/C16H14N2O4/c1-11-2-4-12(5-3-11)16(21)13-6-8-14(9-7-13)18(17-22)10-15(19)20/h2-9H,10H2,1H3,(H,19,20)