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methyl 3-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

methyl 3-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name:methyl 3-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate
Openeye Name:methyl 3-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]sulfanylpropanoate
CAS Name:3-[[2-(2-methyl-6-nitroanilino)-2-oxoethyl]thio]propanoic acid methyl ester
IUPAC Name:methyl 3-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]sulfanylpropanoate
Traditional Name:3-[[2-keto-2-(2-methyl-6-nitro-anilino)ethyl]thio]propionic acid methyl ester
Formula: C13H16N2O5S
MolecularWeight: 312.34154
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSCCC(=O)OC


Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSCCC(=O)OC


InChI

InChI=1S/C13H16N2O5S/c1-9-4-3-5-10(15(18)19)13(9)14-11(16)8-21-7-6-12(17)20-2/h3-5H,6-8H2,1-2H3,(H,14,16)


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