4-[(4-nitrophenyl)-nitroso-amino]benzoic acid

Systemtic Name: 4-[(4-nitrophenyl)-nitroso-amino]benzoic acid Openeye Name: 4-(4-nitro-N-nitroso-anilino)benzoic acid CAS Name: 4-(4-nitro-N-nitrosoanilino)benzoic acid IUPAC Name: 4-(4-nitro-N-nitrosoanilino)benzoic acid Traditional Name: 4-(4-nitro-N-nitroso-anilino)benzoic acid Formula: C13H9N3O5 MolecularWeight: 287.22766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(C2=CC=C(C=C2)[N+](=O)[O-])N=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(C2=CC=C(C=C2)[N+](=O)[O-])N=O

InChI

InChI=1S/C13H9N3O5/c17-13(18)9-1-3-10(4-2-9)15(14-19)11-5-7-12(8-6-11)16(20)21/h1-8H,(H,17,18)