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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-2-methoxy-5-nitro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxy-5-nitrobenzamide Traditional Name: 2-methoxy-N-(4-methyl-5-piperonyl-thiazol-2-yl)-5-nitro-benzamide Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O6S/c1-11-18(8-12-3-5-16-17(7-12)29-10-28-16)30-20(21-11)22-19(24)14-9-13(23(25)26)4-6-15(14)27-2/h3-7,9H,8,10H2,1-2H3,(H,21,22,24)