1,3-benzodioxol-5-yl-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(5-nitro-8-quinolyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(5-nitro-8-quinolinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(5-nitro-8-quinolyl)piperazino]methanone Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N4O5/c26-21(14-3-6-18-19(12-14)30-13-29-18)24-10-8-23(9-11-24)17-5-4-16(25(27)28)15-2-1-7-22-20(15)17/h1-7,12H,8-11,13H2