1-[4-(1,3-benzodioxol-5-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(1,3-benzodioxol-5-yl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#CC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C=C(C#CC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4/c1-15(4-5-16-6-7-18-19(13-16)28-14-27-18)22-9-11-23(12-10-22)20-17(24(25)26)3-2-8-21-20/h2-3,6-8,13H,1,9-12,14H2