3-(2-chloranyl-5-nitro-phenyl)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(2-chloro-5-nitro-phenyl)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-oxo-propanenitrile CAS Name: 3-(2-chloro-5-nitrophenyl)-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-oxopropanenitrile IUPAC Name: 3-(2-chloro-5-nitrophenyl)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxopropanenitrile Traditional Name: 3-(2-chloro-5-nitro-phenyl)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-keto-propionitrile Formula: C20H14ClN3O5S MolecularWeight: 443.86026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C20H14ClN3O5S/c1-28-17-6-3-11(7-18(17)29-2)16-10-30-20(23-16)14(9-22)19(25)13-8-12(24(26)27)4-5-15(13)21/h3-8,10,14H,1-2H3