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

Systemtic Name: 4-[(3-chlorophenyl)-nitroso-amino]benzoic acid Openeye Name: 4-(3-chloro-N-nitroso-anilino)benzoic acid CAS Name: 4-(3-chloro-N-nitrosoanilino)benzoic acid IUPAC Name: 4-(3-chloro-N-nitrosoanilino)benzoic acid Traditional Name: 4-(3-chloro-N-nitroso-anilino)benzoic acid Formula: C13H9ClN2O3 MolecularWeight: 276.67516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O3/c14-10-2-1-3-12(8-10)16(15-19)11-6-4-9(5-7-11)13(17)18/h1-8H,(H,17,18)