[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-chloranyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-chloranyl-3-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-chloro-3-nitro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-(4-chloro-3-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-chloro-3-nitrophenyl)methanone Traditional Name: [4-(1,3-benzodioxol-5-yl)piperazino]-(4-chloro-3-nitro-phenyl)methanone Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O5/c19-14-3-1-12(9-15(14)22(24)25)18(23)21-7-5-20(6-8-21)13-2-4-16-17(10-13)27-11-26-16/h1-4,9-10H,5-8,11H2