3,4,5-triethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3,4,5-triethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3,4,5-triethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3,4,5-triethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3,4,5-triethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3,4,5-triethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-4-27-15-9-12(10-16(28-5-2)18(15)29-6-3)19(24)22-20-21-14-8-7-13(23(25)26)11-17(14)30-20/h7-11H,4-6H2,1-3H3,(H,21,22,24)