3-[(4-ethanoylphenyl)-nitroso-amino]benzoic acid

Systemtic Name: 3-[(4-ethanoylphenyl)-nitroso-amino]benzoic acid Openeye Name: 3-(4-acetyl-N-nitroso-anilino)benzoic acid CAS Name: 3-(4-acetyl-N-nitrosoanilino)benzoic acid IUPAC Name: 3-(4-acetyl-N-nitrosoanilino)benzoic acid Traditional Name: 3-(4-acetyl-N-nitroso-anilino)benzoic acid Formula: C15H12N2O4 MolecularWeight: 284.26678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O4/c1-10(18)11-5-7-13(8-6-11)17(16-21)14-4-2-3-12(9-14)15(19)20/h2-9H,1H3,(H,19,20)