2-[(3-cyanophenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(3-cyanophenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(3-cyanoanilino)-5-nitro-benzoic acid CAS Name: 2-(3-cyanoanilino)-5-nitrobenzoic acid IUPAC Name: 2-(3-cyanoanilino)-5-nitrobenzoic acid Traditional Name: 2-(3-cyanoanilino)-5-nitro-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(=O)O)C#N

Isomeric SMILES

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

InChI

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