N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N4O6S/c1-28-7-6-21-15-4-3-13(24(26)27)9-14(15)19(25)23-20-22-16(10-31-20)12-2-5-17-18(8-12)30-11-29-17/h2-5,8-10,21H,6-7,11H2,1H3,(H,22,23,25)