3-[(3-nitrophenyl)carbamoylsulfanyl]propanoic acid

Systemtic Name: 3-[(3-nitrophenyl)carbamoylsulfanyl]propanoic acid Openeye Name: 3-[(3-nitrophenyl)carbamoylsulfanyl]propanoic acid CAS Name: 3-[[(3-nitroanilino)-oxomethyl]thio]propanoic acid IUPAC Name: 3-[(3-nitrophenyl)carbamoylsulfanyl]propanoic acid Traditional Name: 3-[(3-nitrophenyl)carbamoylthio]propionic acid Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)SCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)SCCC(=O)O

InChI

InChI=1S/C10H10N2O5S/c13-9(14)4-5-18-10(15)11-7-2-1-3-8(6-7)12(16)17/h1-3,6H,4-5H2,(H,11,15)(H,13,14)