1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxy-5-nitro-phenyl)piperazine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxy-5-nitro-phenyl)piperazine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxy-5-nitro-phenyl)piperazine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxy-5-nitrophenyl)piperazine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxy-5-nitrophenyl)piperazine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-methoxy-5-nitro-phenyl)piperazine Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N2CCN(CC2)CC3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N2CCN(CC2)CC3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H23N3O5/c1-26-18-7-6-15(23(24)25)12-17(18)22-10-8-21(9-11-22)13-16-14-27-19-4-2-3-5-20(19)28-16/h2-7,12,16H,8-11,13-14H2,1H3