1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(6-nitropyridin-3-yl)piperazine

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(6-nitropyridin-3-yl)piperazine Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(6-nitro-3-pyridyl)piperazine CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(6-nitro-3-pyridinyl)piperazine IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(6-nitropyridin-3-yl)piperazine Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(6-nitro-3-pyridyl)piperazine Formula: C18H19BrN4O4 MolecularWeight: 435.27186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN4O4/c19-15-10-17-16(26-7-8-27-17)9-13(15)12-21-3-5-22(6-4-21)14-1-2-18(20-11-14)23(24)25/h1-2,9-11H,3-8,12H2