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

Systemtic Name: 3-nitro-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C14H10N4O6S MolecularWeight: 362.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O6S/c19-12-7-10(18(23)24)4-5-11(12)15-14(25)16-13(20)8-2-1-3-9(6-8)17(21)22/h1-7,19H,(H2,15,16,20,25)