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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-nitro-4-piperidino-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c25-21(22-13-16-14-28-19-6-2-3-7-20(19)29-16)15-8-9-17(18(12-15)24(26)27)23-10-4-1-5-11-23/h2-3,6-9,12,16H,1,4-5,10-11,13-14H2,(H,22,25)