2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid IUPAC Name: 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid Formula: C9H8N2O5S MolecularWeight: 256.23522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C9H8N2O5S/c10-9(14)5-1-2-7(17-4-8(12)13)6(3-5)11(15)16/h1-3H,4H2,(H2,10,14)(H,12,13)