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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S/c1-10-2-3-12(6-14(10)21(23)24)17(22)20-18-19-13(8-27-18)11-4-5-15-16(7-11)26-9-25-15/h2-8H,9H2,1H3,(H,19,20,22)