5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-2-oxidanyl-benzoate Openeye Name: 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-2-hydroxy-benzoate CAS Name: 5-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybenzoate Traditional Name: 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-2-hydroxy-benzoate Formula: C16H8ClN2O6S- MolecularWeight: 391.76252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClN2O6S/c17-12-8-2-1-3-10(19(24)25)13(8)26-14(12)15(21)18-7-4-5-11(20)9(6-7)16(22)23/h1-6,20H,(H,18,21)(H,22,23)/p-1