2-[(4-aminocarbonyl-2-nitro-phenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-aminocarbonyl-2-nitro-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-carbamoyl-2-nitro-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)methylthio]acetic acid IUPAC Name: 2-[(4-carbamoyl-2-nitrophenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-carbamoyl-2-nitro-benzyl)thio]acetic acid Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O5S/c11-10(15)6-1-2-7(4-18-5-9(13)14)8(3-6)12(16)17/h1-3H,4-5H2,(H2,11,15)(H,13,14)