4-chloranyl-3-nitro-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C14H9ClN4O6S MolecularWeight: 396.76246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN4O6S/c15-9-3-1-7(5-11(9)19(24)25)13(21)17-14(26)16-10-4-2-8(18(22)23)6-12(10)20/h1-6,20H,(H2,16,17,21,26)