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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N4O5S/c1-19-13-4-3-11(22(24)25)7-12(13)17(23)21-18-20-14(8-28-18)10-2-5-15-16(6-10)27-9-26-15/h2-8,19H,9H2,1H3,(H,20,21,23)