N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S/c27-21(15-3-5-17(18(11-15)26(28)29)25-7-1-2-8-25)24-22-23-16(13-32-22)14-4-6-19-20(12-14)31-10-9-30-19/h3-6,11-13H,1-2,7-10H2,(H,23,24,27)