(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-nitro-3-pyridyl)piperazino]prop-2-en-1-one Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O5/c24-19(6-2-14-1-4-16-17(11-14)28-13-27-16)22-9-7-21(8-10-22)15-3-5-18(20-12-15)23(25)26/h1-6,11-12H,7-10,13H2/b6-2+