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

Systemtic Name: 4-[(4-cyanophenyl)-[nitroso(oxidanyl)amino]amino]benzoic acid Openeye Name: 4-(4-cyano-N-[hydroxy(nitroso)amino]anilino)benzoic acid CAS Name: 4-(4-cyano-N-[hydroxy(nitroso)amino]anilino)benzoic acid IUPAC Name: 4-(4-cyano-N-[hydroxy(nitroso)amino]anilino)benzoic acid Traditional Name: 4-(4-cyano-N-[hydroxy(nitroso)amino]anilino)benzoic acid Formula: C14H10N4O4 MolecularWeight: 298.2536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O4/c15-9-10-1-5-12(6-2-10)17(18(22)16-21)13-7-3-11(4-8-13)14(19)20/h1-8,22H,(H,19,20)