(Z)-1-(2-chloranyl-4,5-dimethoxy-phenyl)-3-methylsulfanyl-2-nitro-3-phenylazanyl-prop-2-en-1-one

Systemtic Name: (Z)-1-(2-chloranyl-4,5-dimethoxy-phenyl)-3-methylsulfanyl-2-nitro-3-phenylazanyl-prop-2-en-1-one Openeye Name: (Z)-3-anilino-1-(2-chloro-4,5-dimethoxy-phenyl)-3-methylsulfanyl-2-nitro-prop-2-en-1-one CAS Name: (Z)-3-anilino-1-(2-chloro-4,5-dimethoxyphenyl)-3-(methylthio)-2-nitro-2-propen-1-one IUPAC Name: (Z)-3-anilino-1-(2-chloro-4,5-dimethoxyphenyl)-3-methylsulfanyl-2-nitroprop-2-en-1-one Traditional Name: (Z)-3-anilino-1-(2-chloro-4,5-dimethoxy-phenyl)-3-(methylthio)-2-nitro-prop-2-en-1-one Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)C(=C(NC2=CC=CC=C2)SC)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)/C(=C(\NC2=CC=CC=C2)/SC)/[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C18H17ClN2O5S/c1-25-14-9-12(13(19)10-15(14)26-2)17(22)16(21(23)24)18(27-3)20-11-7-5-4-6-8-11/h4-10,20H,1-3H3/b18-16-