3-[2,6-bis(chloranyl)phenyl]-3-cyano-N-(4-nitro-1,3-thiazol-2-yl)-2-oxidanylidene-propanamide

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-3-cyano-N-(4-nitro-1,3-thiazol-2-yl)-2-oxidanylidene-propanamide Openeye Name: 3-cyano-3-(2,6-dichlorophenyl)-N-(4-nitrothiazol-2-yl)-2-oxo-propanamide CAS Name: 3-cyano-3-(2,6-dichlorophenyl)-N-(4-nitro-2-thiazolyl)-2-oxopropanamide IUPAC Name: 3-cyano-3-(2,6-dichlorophenyl)-N-(4-nitro-1,3-thiazol-2-yl)-2-oxopropanamide Traditional Name: 3-cyano-3-(2,6-dichlorophenyl)-2-keto-N-(4-nitrothiazol-2-yl)propionamide Formula: C13H6Cl2N4O4S MolecularWeight: 385.18214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(C#N)C(=O)C(=O)NC2=NC(=CS2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(C#N)C(=O)C(=O)NC2=NC(=CS2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H6Cl2N4O4S/c14-7-2-1-3-8(15)10(7)6(4-16)11(20)12(21)18-13-17-9(5-24-13)19(22)23/h1-3,5-6H,(H,17,18,21)