2-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(2-chloro-4-nitro-benzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C15H9ClIN3O5S MolecularWeight: 505.67153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C15H9ClIN3O5S/c16-11-6-8(20(24)25)2-3-9(11)13(21)19-15(26)18-12-4-1-7(17)5-10(12)14(22)23/h1-6H,(H,22,23)(H2,18,19,21,26)