1,3-benzodioxol-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-4-yl-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-4-yl-[4-(4-nitrophenyl)piperazino]methanone Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C18H17N3O5/c22-18(15-2-1-3-16-17(15)26-12-25-16)20-10-8-19(9-11-20)13-4-6-14(7-5-13)21(23)24/h1-7H,8-12H2