3-[1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-(6-nitro-1,3-benzodioxole-5-carbonyl)-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-(6-nitro-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-(6-nitropiperonyloyl)-4-piperidyl]-1H-benzimidazol-2-one Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C20H18N4O6/c25-19(13-9-17-18(30-11-29-17)10-16(13)24(27)28)22-7-5-12(6-8-22)23-15-4-2-1-3-14(15)21-20(23)26/h1-4,9-10,12H,5-8,11H2,(H,21,26)