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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c1-25-14-4-3-11(6-13(14)21(23)24)17(22)20-18-19-12(8-28-18)10-2-5-15-16(7-10)27-9-26-15/h2-8H,9H2,1H3,(H,19,20,22)