5-[[3,5-bis(chloranyl)phenyl]amino]-2-nitro-benzoic acid

Systemtic Name: 5-[[3,5-bis(chloranyl)phenyl]amino]-2-nitro-benzoic acid Openeye Name: 5-(3,5-dichloroanilino)-2-nitro-benzoic acid CAS Name: 5-(3,5-dichloroanilino)-2-nitrobenzoic acid IUPAC Name: 5-(3,5-dichloroanilino)-2-nitrobenzoic acid Traditional Name: 5-(3,5-dichloroanilino)-2-nitro-benzoic acid Formula: C13H8Cl2N2O4 MolecularWeight: 327.11962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=CC(=CC(=C2)Cl)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC2=CC(=CC(=C2)Cl)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8Cl2N2O4/c14-7-3-8(15)5-10(4-7)16-9-1-2-12(17(20)21)11(6-9)13(18)19/h1-6,16H,(H,18,19)