4-ethoxy-3-nitro-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H14N4O7S MolecularWeight: 406.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O7S/c1-2-27-14-6-3-9(7-12(14)20(25)26)15(22)18-16(28)17-11-8-10(19(23)24)4-5-13(11)21/h3-8,21H,2H2,1H3,(H2,17,18,22,28)