N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC[C@H]3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15-8-10-24(11-9-15)18-7-6-16(12-19(18)25(27)28)22(26)23-13-17-14-29-20-4-2-3-5-21(20)30-17/h2-7,12,15,17H,8-11,13-14H2,1H3,(H,23,26)/t17-/m0/s1