2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitro-benzoate

Systemtic Name: 2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitro-benzoate Openeye Name: 2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitro-benzoate CAS Name: 2-[[2-(methylcarbamoyl)phenyl]thio]-5-nitrobenzoate IUPAC Name: 2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitrobenzoate Traditional Name: 2-[[2-(methylcarbamoyl)phenyl]thio]-5-nitro-benzoate Formula: C15H11N2O5S- MolecularWeight: 331.32324

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H12N2O5S/c1-16-14(18)10-4-2-3-5-12(10)23-13-7-6-9(17(21)22)8-11(13)15(19)20/h2-8H,1H3,(H,16,18)(H,19,20)/p-1