4-[(4-carboxyphenyl)-[nitroso(oxidanyl)amino]amino]benzoic acid

Systemtic Name: 4-[(4-carboxyphenyl)-[nitroso(oxidanyl)amino]amino]benzoic acid Openeye Name: 4-(4-carboxy-N-[hydroxy(nitroso)amino]anilino)benzoic acid CAS Name: 4-(4-carboxy-N-[hydroxy(nitroso)amino]anilino)benzoic acid IUPAC Name: 4-(4-carboxy-N-[hydroxy(nitroso)amino]anilino)benzoic acid Traditional Name: 4-(4-carboxy-N-[hydroxy(nitroso)amino]anilino)benzoic acid Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(C2=CC=C(C=C2)C(=O)O)N(N=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(C2=CC=C(C=C2)C(=O)O)N(N=O)O

InChI

InChI=1S/C14H11N3O6/c18-13(19)9-1-5-11(6-2-9)16(17(23)15-22)12-7-3-10(4-8-12)14(20)21/h1-8,23H,(H,18,19)(H,20,21)