2-[(4-carboxyphenyl)amino]-5-chloranyl-3-nitro-benzoic acid

Systemtic Name: 2-[(4-carboxyphenyl)amino]-5-chloranyl-3-nitro-benzoic acid Openeye Name: 2-(4-carboxyanilino)-5-chloro-3-nitro-benzoic acid CAS Name: 2-(4-carboxyanilino)-5-chloro-3-nitrobenzoic acid IUPAC Name: 2-(4-carboxyanilino)-5-chloro-3-nitrobenzoic acid Traditional Name: 2-(4-carboxyanilino)-5-chloro-3-nitro-benzoic acid Formula: C14H9ClN2O6 MolecularWeight: 336.68406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN2O6/c15-8-5-10(14(20)21)12(11(6-8)17(22)23)16-9-3-1-7(2-4-9)13(18)19/h1-6,16H,(H,18,19)(H,20,21)