3-[(2-cyano-4-nitro-phenyl)amino]benzoic acid

Systemtic Name: 3-[(2-cyano-4-nitro-phenyl)amino]benzoic acid Openeye Name: 3-(2-cyano-4-nitro-anilino)benzoic acid CAS Name: 3-(2-cyano-4-nitroanilino)benzoic acid IUPAC Name: 3-(2-cyano-4-nitroanilino)benzoic acid Traditional Name: 3-(2-cyano-4-nitro-anilino)benzoic acid Formula: C14H9N3O4 MolecularWeight: 283.23896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)O

InChI

InChI=1S/C14H9N3O4/c15-8-10-7-12(17(20)21)4-5-13(10)16-11-3-1-2-9(6-11)14(18)19/h1-7,16H,(H,18,19)