methyl 2-[(1-methylsulfanyl-2-nitro-ethenyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(1-methylsulfanyl-2-nitro-ethenyl)amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(1-methylsulfanyl-2-nitro-vinyl)amino]-3-phenyl-propanoate CAS Name: 2-[[1-(methylthio)-2-nitroethenyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(1-methylsulfanyl-2-nitroethenyl)amino]-3-phenylpropanoate Traditional Name: 2-[[1-(methylthio)-2-nitro-vinyl]amino]-3-phenyl-propionic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=C[N+](=O)[O-])SC

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=C[N+](=O)[O-])SC

InChI

InChI=1S/C13H16N2O4S/c1-19-13(16)11(8-10-6-4-3-5-7-10)14-12(20-2)9-15(17)18/h3-7,9,11,14H,8H2,1-2H3