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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chloranyl-2-nitro-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-4-chloro-2-nitro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-chloro-2-nitrobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chloro-2-nitrobenzamide Traditional Name: 4-chloro-N-(4-methyl-5-piperonyl-thiazol-2-yl)-2-nitro-benzamide Formula: C19H14ClN3O5S MolecularWeight: 431.84956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O5S/c1-10-17(7-11-2-5-15-16(6-11)28-9-27-15)29-19(21-10)22-18(24)13-4-3-12(20)8-14(13)23(25)26/h2-6,8H,7,9H2,1H3,(H,21,22,24)