[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Openeye Name: [4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone CAS Name: [4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone IUPAC Name: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Traditional Name: [4-(2-chloro-4-nitro-phenyl)piperazino]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H18ClN3O5/c20-14-11-13(23(25)26)5-6-15(14)21-7-9-22(10-8-21)19(24)18-12-27-16-3-1-2-4-17(16)28-18/h1-6,11,18H,7-10,12H2