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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-20(21-13-14-3-6-18-19(11-14)28-10-9-27-18)15-4-5-16(17(12-15)23(25)26)22-7-1-2-8-22/h3-6,11-12H,1-2,7-10,13H2,(H,21,24)