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

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [3-nitro-4-(4-piperonyloylpiperazino)phenyl]-phenyl-methanone Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O6/c29-24(17-4-2-1-3-5-17)18-6-8-20(21(14-18)28(31)32)26-10-12-27(13-11-26)25(30)19-7-9-22-23(15-19)34-16-33-22/h1-9,14-15H,10-13,16H2