4-[[2,5-bis(chloranyl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]amino]-3-nitro-benzoate Openeye Name: 4-(2,5-dichloroanilino)-3-nitro-benzoate CAS Name: 4-(2,5-dichloroanilino)-3-nitrobenzoate IUPAC Name: 4-(2,5-dichloroanilino)-3-nitrobenzoate Traditional Name: 4-(2,5-dichloroanilino)-3-nitro-benzoate Formula: C13H7Cl2N2O4- MolecularWeight: 326.11168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)Cl

InChI

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