2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propanenitrile

Systemtic Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: 2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: 2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: 3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propionitrile Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S/c1-28-17-8-13(9-18(29-2)20(17)30-3)19(25)15(10-22)21-23-16(11-31-21)12-5-4-6-14(7-12)24(26)27/h4-9,11,15H,1-3H3