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

Systemtic Name: 4-[(3-cyanophenyl)-nitroso-amino]benzoic acid Openeye Name: 4-(3-cyano-N-nitroso-anilino)benzoic acid CAS Name: 4-(3-cyano-N-nitrosoanilino)benzoic acid IUPAC Name: 4-(3-cyano-N-nitrosoanilino)benzoic acid Traditional Name: 4-(3-cyano-N-nitroso-anilino)benzoic acid Formula: C14H9N3O3 MolecularWeight: 267.23956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O3/c15-9-10-2-1-3-13(8-10)17(16-20)12-6-4-11(5-7-12)14(18)19/h1-8H,(H,18,19)