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2-[ethanoyl-(5-methyl-2-nitro-phenyl)amino]-3-sulfanyl-propanoic acid

2-[ethanoyl-(5-methyl-2-nitro-phenyl)amino]-3-sulfanyl-propanoic acid

Systemtic Name:2-[ethanoyl-(5-methyl-2-nitro-phenyl)amino]-3-sulfanyl-propanoic acid
Openeye Name:2-(N-acetyl-5-methyl-2-nitro-anilino)-3-sulfanyl-propanoic acid
CAS Name:2-(N-acetyl-5-methyl-2-nitroanilino)-3-mercaptopropanoic acid
IUPAC Name:2-(N-acetyl-5-methyl-2-nitroanilino)-3-sulfanylpropanoic acid
Traditional Name:2-(N-acetyl-5-methyl-2-nitro-anilino)-3-mercapto-propionic acid
Formula: C12H14N2O5S
MolecularWeight: 298.31496
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])N(C(CS)C(=O)O)C(=O)C


Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])N(C(CS)C(=O)O)C(=O)C


InChI

InChI=1S/C12H14N2O5S/c1-7-3-4-9(14(18)19)10(5-7)13(8(2)15)11(6-20)12(16)17/h3-5,11,20H,6H2,1-2H3,(H,16,17)


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