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

Systemtic Name: methyl 3-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]thio]propionic acid methyl ester Formula: C14H18N2O6S MolecularWeight: 342.36752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSCCC(=O)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSCCC(=O)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S/c1-9-6-11(16(19)20)12(21-2)7-10(9)15-13(17)8-23-5-4-14(18)22-3/h6-7H,4-5,8H2,1-3H3,(H,15,17)