N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-oxidanylidene-2-phenyl-ethanoyl)benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-oxidanylidene-2-phenyl-ethanoyl)benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenyl-acetyl)benzamide CAS Name: 4-(1,2-dioxo-2-phenylethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide Traditional Name: 4-(2-keto-2-phenyl-acetyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C22H13N3O5S MolecularWeight: 431.42072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O5S/c26-19(13-4-2-1-3-5-13)20(27)14-6-8-15(9-7-14)21(28)24-22-23-17-11-10-16(25(29)30)12-18(17)31-22/h1-12H,(H,23,24,28)