methyl 3-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(2-methyl-4-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/c1-9-7-10(15(18)19)3-4-11(9)14-12(16)8-21-6-5-13(17)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)