N-(2-methyl-4-nitro-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H15N3O6S/c1-10-9-12(20(23)24)7-8-14(10)18-16(21)11(2)19-17(22)13-5-3-4-6-15(13)27(19,25)26/h3-9,11H,1-2H3,(H,18,21)