4-chloranyl-3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid CAS Name: 4-chloro-3-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 4-chloro-3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid Formula: C16H8Cl2N2O5S MolecularWeight: 411.21612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C16H8Cl2N2O5S/c17-9-5-4-7(16(22)23)6-10(9)19-15(21)14-12(18)8-2-1-3-11(20(24)25)13(8)26-14/h1-6H,(H,19,21)(H,22,23)