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

Systemtic Name: 2-[[4-(4-butylphenyl)carbonylphenyl]-nitroso-amino]-2-phenyl-ethanoic acid Openeye Name: 2-[4-(4-butylbenzoyl)-N-nitroso-anilino]-2-phenyl-acetic acid CAS Name: 2-[4-[(4-butylphenyl)-oxomethyl]-N-nitrosoanilino]-2-phenylacetic acid IUPAC Name: 2-[4-(4-butylbenzoyl)-N-nitrosoanilino]-2-phenylacetic acid Traditional Name: 2-[4-(4-butylbenzoyl)-N-nitroso-anilino]-2-phenyl-acetic acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C(C3=CC=CC=C3)C(=O)O)N=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C(C3=CC=CC=C3)C(=O)O)N=O

InChI

InChI=1S/C25H24N2O4/c1-2-3-7-18-10-12-20(13-11-18)24(28)21-14-16-22(17-15-21)27(26-31)23(25(29)30)19-8-5-4-6-9-19/h4-6,8-17,23H,2-3,7H2,1H3,(H,29,30)