2-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(3-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S/c19-13(9-4-3-5-10(8-9)18(22)23)17-15(24)16-12-7-2-1-6-11(12)14(20)21/h1-8H,(H,20,21)(H2,16,17,19,24)