N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C15H12N4O7S MolecularWeight: 392.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O7S/c20-13-6-3-10(19(24)25)7-12(13)16-15(27)17-14(21)8-26-11-4-1-9(2-5-11)18(22)23/h1-7,20H,8H2,(H2,16,17,21,27)