2-[ethanoyl-(2-nitrophenyl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[ethanoyl-(2-nitrophenyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(N-acetyl-2-nitro-anilino)-3-sulfanyl-propanoic acid CAS Name: 2-(N-acetyl-2-nitroanilino)-3-mercaptopropanoic acid IUPAC Name: 2-(N-acetyl-2-nitroanilino)-3-sulfanylpropanoic acid Traditional Name: 2-(N-acetyl-2-nitro-anilino)-3-mercapto-propionic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c1-7(14)12(10(6-19)11(15)16)8-4-2-3-5-9(8)13(17)18/h2-5,10,19H,6H2,1H3,(H,15,16)