N-(2-methoxy-5-nitro-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C17H15N3O7S MolecularWeight: 405.3819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H15N3O7S/c1-27-14-7-6-11(20(23)24)10-13(14)18-16(21)8-9-19-17(22)12-4-2-3-5-15(12)28(19,25)26/h2-7,10H,8-9H2,1H3,(H,18,21)