methyl 3-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C14H18N2O5S/c1-9-6-11(12(16(19)20)7-10(9)2)15-13(17)8-22-5-4-14(18)21-3/h6-7H,4-5,8H2,1-3H3,(H,15,17)