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

Systemtic Name: 2-[[4-(4-butylphenyl)carbonylphenyl]-nitroso-amino]ethanoic acid Openeye Name: 2-[4-(4-butylbenzoyl)-N-nitroso-anilino]acetic acid CAS Name: 2-[4-[(4-butylphenyl)-oxomethyl]-N-nitrosoanilino]acetic acid IUPAC Name: 2-[4-(4-butylbenzoyl)-N-nitrosoanilino]acetic acid Traditional Name: 2-[4-(4-butylbenzoyl)-N-nitroso-anilino]acetic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC(=O)O)N=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC(=O)O)N=O

InChI

InChI=1S/C19H20N2O4/c1-2-3-4-14-5-7-15(8-6-14)19(24)16-9-11-17(12-10-16)21(20-25)13-18(22)23/h5-12H,2-4,13H2,1H3,(H,22,23)