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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-(5-methyl-4-piperonyl-thiazol-2-yl)-4-nitro-benzamide Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15N3O5S/c1-11-15(8-12-2-7-16-17(9-12)27-10-26-16)20-19(28-11)21-18(23)13-3-5-14(6-4-13)22(24)25/h2-7,9H,8,10H2,1H3,(H,20,21,23)