2-[(4-methylsulfanylphenyl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(4-methylsulfanylphenyl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(4-methylsulfanylphenyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[4-(methylthio)anilino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(4-methylsulfanylphenyl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[4-(methylthio)phenyl]carbamoyl]-6-nitro-benzoic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

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